Year |
Citation |
Score |
2019 |
Carroll L, Karton A, Radom L, Davies MJ, Pattison DI. Carnosine and carcinine derivatives rapidly react with hypochlorous acid to form chloramines and dichloramines. Chemical Research in Toxicology. PMID 30693765 DOI: 10.1021/Acs.Chemrestox.8B00363 |
0.565 |
|
2018 |
Chan B, Radom L. An ONIOM investigation of the effect of conformation on bond dissociation energies in peptides. Journal of Computational Chemistry. PMID 30451304 DOI: 10.1002/Jcc.25538 |
0.312 |
|
2018 |
Chan B, Rintelman J, Wood GPF, Radom L, Gordon MS. Solvation of the Glycyl Radical. The Journal of Physical Chemistry. A. PMID 30160481 DOI: 10.1021/Acs.Jpca.8B06833 |
0.524 |
|
2018 |
Kovačević B, Barić D, Babic D, Bilić L, Hanževački M, Sandala GM, Radom L, Smith DM. A Computational Tale of Two Enzymes: Glycerol Dehydration With or Without B. Journal of the American Chemical Society. PMID 29894625 DOI: 10.1021/Jacs.8B03109 |
0.464 |
|
2018 |
Chan B, Easton CJ, Radom L. Effect of Hydrogen Bonding and Partial Deprotonation on the Oxidation of Peptides. The Journal of Physical Chemistry. A. PMID 29392952 DOI: 10.1021/Acs.Jpca.7B11797 |
0.344 |
|
2018 |
Chan B, Radom L. Modelling the Effect of Conformation on Hydrogen-Atom Abstraction from Peptides Australian Journal of Chemistry. 71: 257-264. DOI: 10.1071/Ch17621 |
0.351 |
|
2017 |
Feketeova L, Chan B, Khairallah GN, Steinmetz V, Maître P, Radom L, O'Hair RAJ. Watson-Crick Base-Pair Radical Cation as a Model for Oxidative Damage in DNA. The Journal of Physical Chemistry Letters. PMID 28628332 DOI: 10.1021/Acs.Jpclett.7B01251 |
0.323 |
|
2017 |
O'Connor GD, Chan B, Sanelli JA, Cergol KM, Dryza V, Payne RJ, Bieske EJ, Radom L, Schmidt TW. Hydrogen-adduction to open-shell graphene fragments: spectroscopy, thermochemistry and astrochemistry. Chemical Science. 8: 1186-1194. PMID 28451259 DOI: 10.1039/C6Sc03787A |
0.369 |
|
2016 |
Poad BLJ, Reed ND, Hansen CS, Trevitt AJ, Blanksby SJ, Mackay EG, Sherburn MS, Chan B, Radom L. Preparation of an ion with the highest calculated proton affinity: -diethynylbenzene dianion. Chemical Science. 7: 6245-6250. PMID 30034765 DOI: 10.1039/C6Sc01726F |
0.392 |
|
2016 |
Karimi M, Ignasiak MT, Chan B, Croft AK, Radom L, Schiesser CH, Pattison DI, Davies MJ. Reactivity of disulfide bonds is markedly affected by structure and environment: implications for protein modification and stability. Scientific Reports. 6: 38572. PMID 27941824 DOI: 10.1038/Srep38572 |
0.303 |
|
2016 |
Chan B, Karton A, Raghavachari K, Radom L. Restricted-Open-Shell G4(MP2)-Type Procedures. The Journal of Physical Chemistry. A. 120: 9299-9304. PMID 27934246 DOI: 10.1021/Acs.Jpca.6B09361 |
0.66 |
|
2016 |
Osburn S, Chan B, Ryzhov V, Radom L, O'Hair RA. Role of Hydrogen Bonding on the Reactivity of Thiyl Radicals: A Mass Spectrometric and Computational Study Using the Distonic Radical Ion Approach. The Journal of Physical Chemistry. A. PMID 27726360 DOI: 10.1021/Acs.Jpca.6B08544 |
0.391 |
|
2016 |
Chan B, Radom L. Frequency Scale Factors for Some Double-Hybrid Density Functional Theory Procedures: Accurate Thermochemical Components for High-Level Composite Protocols. Journal of Chemical Theory and Computation. PMID 27471908 DOI: 10.1021/Acs.Jctc.6B00554 |
0.332 |
|
2016 |
Chan B, Karton A, Easton CJ, Radom L. α-Hydrogen Abstraction by •OH and •SH Radicals from Amino Acids and Their Peptide Derivatives. Journal of Chemical Theory and Computation. PMID 26950040 DOI: 10.1021/Acs.Jctc.6B00007 |
0.628 |
|
2016 |
Krechkivska O, Wilcox CM, Troy TP, Nauta K, Chan B, Jacob R, Reid SA, Radom L, Schmidt TW, Kable SH. Hydrogen-atom attack on phenol and toluene is ortho-directed. Physical Chemistry Chemical Physics : Pccp. 18: 8625-36. PMID 26948897 DOI: 10.1039/C5Cp07619F |
0.329 |
|
2016 |
Easton ME, Chan B, Masters AF, Maschmeyer T, Radom L. Beyond the halogen bond: Examining the limits of extended polybromide networks through quantum-chemical investigations. Chemistry, An Asian Journal. PMID 26833846 DOI: 10.1002/Asia.201501316 |
0.301 |
|
2015 |
Chan B, Goerigk L, Radom L. On the inclusion of post-MP2 contributions to double-Hybrid density functionals. Journal of Computational Chemistry. PMID 26135403 DOI: 10.1002/Jcc.23972 |
0.333 |
|
2015 |
Feketeová L, Chan B, Khairallah GN, Steinmetz V, Maître P, Radom L, O'Hair RA. Gas-phase structure and reactivity of the keto tautomer of the deoxyguanosine radical cation. Physical Chemistry Chemical Physics : Pccp. 17: 25837-44. PMID 25942055 DOI: 10.1039/C5Cp01573A |
0.382 |
|
2015 |
Chan B, Easton CJ, Radom L. Outcome-changing effect of polarity reversal in hydrogen-atom-abstraction reactions. The Journal of Physical Chemistry. A. 119: 3843-7. PMID 25860917 DOI: 10.1021/Acs.Jpca.5B01890 |
0.35 |
|
2015 |
Krechkivska O, Wilcox CM, Chan B, Jacob R, Liu Y, Nauta K, Kable SH, Radom L, Schmidt TW. H and D attachment to naphthalene: spectra and thermochemistry of cold gas-phase 1-C10H9 and 1-C10H8D radicals and cations. The Journal of Physical Chemistry. A. 119: 3225-32. PMID 25756850 DOI: 10.1021/Acs.Jpca.5B01652 |
0.41 |
|
2015 |
Amos RI, Chan B, Easton CJ, Radom L. Hydrogen-atom abstraction from a model amino acid: dependence on the attacking radical. The Journal of Physical Chemistry. B. 119: 783-8. PMID 25072602 DOI: 10.1021/Jp505217Q |
0.37 |
|
2014 |
Chan B, Gilbert AT, Gill PM, Radom L. Performance of Density Functional Theory Procedures for the Calculation of Proton-Exchange Barriers: Unusual Behavior of M06-Type Functionals. Journal of Chemical Theory and Computation. 10: 3777-83. PMID 26588522 DOI: 10.1021/Ct500506T |
0.549 |
|
2014 |
Morris M, Chan B, Radom L. Effect of protonation state and interposed connector groups on bond dissociation enthalpies of alcohols and related systems. The Journal of Physical Chemistry. A. 118: 2810-9. PMID 24707804 DOI: 10.1021/Jp501256F |
0.327 |
|
2014 |
Chan B, Radom L. Accurate quadruple-ζ basis-set approximation for double-hybrid density functional theory with an order of magnitude reduction in computational cost Theoretical Chemistry Accounts. 133: 1-10. DOI: 10.1007/S00214-013-1426-9 |
0.332 |
|
2013 |
Feketeová L, Khairallah GN, Chan B, Steinmetz V, Maître P, Radom L, O'Hair RA. Gas-phase infrared spectrum and acidity of the radical cation of 9-methylguanine. Chemical Communications (Cambridge, England). 49: 7343-5. PMID 23852224 DOI: 10.1039/C3Cc43244K |
0.329 |
|
2013 |
Chan B, Radom L. Hierarchy of relative bond dissociation enthalpies and their use to efficiently compute accurate absolute bond dissociation enthalpies for C-H, C-C, and C-F bonds. The Journal of Physical Chemistry. A. 117: 3666-75. PMID 23607869 DOI: 10.1021/Jp401248R |
0.393 |
|
2013 |
Goerigk L, Karton A, Martin JM, Radom L. Accurate quantum chemical energies for tetrapeptide conformations: why MP2 data with an insufficient basis set should be handled with caution. Physical Chemistry Chemical Physics : Pccp. 15: 7028-31. PMID 23403537 DOI: 10.1039/C3Cp00057E |
0.661 |
|
2013 |
Karton A, Chan B, Raghavachari K, Radom L. Evaluation of the heats of formation of corannulene and C60 by means of high-level theoretical procedures. The Journal of Physical Chemistry. A. 117: 1834-42. PMID 23343032 DOI: 10.1021/Jp312585R |
0.667 |
|
2013 |
O'Reilly RJ, Karton A, Radom L. Effect of substituents on the preferred modes of one-electron reductive cleavage of N-Cl and N-Br bonds. The Journal of Physical Chemistry. A. 117: 460-72. PMID 23282473 DOI: 10.1021/Jp310048F |
0.617 |
|
2012 |
Chan B, Karton A, Raghavachari K, Radom L. Heats of Formation for CrO, CrO2, and CrO3: An Extreme Challenge for Black-Box Composite Procedures. Journal of Chemical Theory and Computation. 8: 3159-3166. PMID 26605727 DOI: 10.1021/Ct300495M |
0.664 |
|
2012 |
Karton A, O'Reilly RJ, Chan B, Radom L. Determination of Barrier Heights for Proton Exchange in Small Water, Ammonia, and Hydrogen Fluoride Clusters with G4(MP2)-Type, MPn, and SCS-MPn Procedures-A Caveat. Journal of Chemical Theory and Computation. 8: 3128-3136. PMID 26605724 DOI: 10.1021/Ct3004723 |
0.593 |
|
2012 |
Chan B, Radom L. W1X-1 and W1X-2: W1-Quality Accuracy with an Order of Magnitude Reduction in Computational Cost. Journal of Chemical Theory and Computation. 8: 4259-4269. PMID 26605589 DOI: 10.1021/Ct300632P |
0.309 |
|
2012 |
Chan B, Gill PM, Radom L. Performance of Gradient-Corrected and Hybrid Density Functional Theory: Role of the Underlying Local Density Approximation and the Gradient Correction. Journal of Chemical Theory and Computation. 8: 4899-906. PMID 26593183 DOI: 10.1021/Ct300603D |
0.543 |
|
2012 |
Morris M, Chan B, Radom L. Heteroatomic deprotonation of substituted methanes and methyl radicals: theoretical insights into structure, stability, and thermochemistry. The Journal of Physical Chemistry. A. 116: 12381-7. PMID 23214477 DOI: 10.1021/Jp3101927 |
0.404 |
|
2012 |
Karton A, O'Reilly RJ, Pattison DI, Davies MJ, Radom L. Computational design of effective, bioinspired HOCl antioxidants: the role of intramolecular Cl+ and H+ shifts. Journal of the American Chemical Society. 134: 19240-5. PMID 23148773 DOI: 10.1021/Ja309273N |
0.564 |
|
2012 |
Chan B, O'Reilly RJ, Easton CJ, Radom L. Reactivities of amino acid derivatives toward hydrogen abstraction by Cl• and OH•. The Journal of Organic Chemistry. 77: 9807-12. PMID 23061734 DOI: 10.1021/Jo3021538 |
0.314 |
|
2012 |
Menon AS, Bally T, Radom L. Influence of connector groups on the interactions of substituents with carbon-centered radicals. The Journal of Physical Chemistry. A. 116: 10203-8. PMID 23039815 DOI: 10.1021/Jp3064245 |
0.324 |
|
2012 |
Chan B, Trevitt AJ, Blanksby SJ, Radom L. Comment on the ionization energy of B2F4. The Journal of Physical Chemistry. A. 116: 9214-5. PMID 22928582 DOI: 10.1021/Jp306150U |
0.355 |
|
2012 |
Chan B, Radom L. BDE261: a comprehensive set of high-level theoretical bond dissociation enthalpies. The Journal of Physical Chemistry. A. 116: 4975-86. PMID 22587308 DOI: 10.1021/Jp302542Z |
0.365 |
|
2012 |
Karton A, O'Reilly RJ, Radom L. Assessment of theoretical procedures for calculating barrier heights for a diverse set of water-catalyzed proton-transfer reactions. The Journal of Physical Chemistry. A. 116: 4211-21. PMID 22497287 DOI: 10.1021/Jp301499Y |
0.605 |
|
2012 |
Chan B, Radom L. Approaches for obtaining accurate rate constants for hydrogen abstraction by a chlorine atom. The Journal of Physical Chemistry. A. 116: 3745-52. PMID 22468903 DOI: 10.1021/Jp3007409 |
0.367 |
|
2012 |
Bucher D, Sandala GM, Durbeej B, Radom L, Smith DM. The elusive 5'-deoxyadenosyl radical in coenzyme-B12-mediated reactions. Journal of the American Chemical Society. 134: 1591-9. PMID 22229941 DOI: 10.1021/Ja207809B |
0.501 |
|
2012 |
Chan B, Karton A, Raghavachari K, Radom L. Heats of formation for CrO, CrO 2, and CrO 3: An extreme challenge for black-box composite procedures Journal of Chemical Theory and Computation. 8: 3159-3166. DOI: 10.1021/ct300495m |
0.565 |
|
2012 |
Karton A, O'Reilly RJ, Chan B, Radom L. Determination of barrier heights for proton exchange in small water, ammonia, and hydrogen fluoride clusters with G4(MP2)-type, MPn, and SCS-MPn procedures-a caveat Journal of Chemical Theory and Computation. 8: 3128-3136. DOI: 10.1021/ct3004723 |
0.511 |
|
2012 |
Chan B, Del Bene JE, Radom L. Proton-bound homodimers involving second-row atoms Theoretical Chemistry Accounts. 131: 1-8. DOI: 10.1007/S00214-012-1088-Z |
0.368 |
|
2012 |
O'Reilly RJ, Karton A, Radom L. N-H and N-Cl homolytic bond dissociation energies and radical stabilization energies: An assessment of theoretical procedures through comparison with benchmark-quality W2w data International Journal of Quantum Chemistry. 112: 1862-1878. DOI: 10.1002/Qua.23210 |
0.622 |
|
2011 |
Chan B, Deng J, Radom L. G4(MP2)-6X: A Cost-Effective Improvement to G4(MP2). Journal of Chemical Theory and Computation. 7: 112-120. PMID 26606224 DOI: 10.1021/Ct100542X |
0.311 |
|
2011 |
Chan B, Radom L. Obtaining Good Performance With Triple-ζ-Type Basis Sets in Double-Hybrid Density Functional Theory Procedures. Journal of Chemical Theory and Computation. 7: 2852-2863. PMID 26605476 DOI: 10.1021/Ct200396X |
0.331 |
|
2011 |
Chalyavi N, Bacskay GB, Menon AS, Troy TP, Davis NJ, Radom L, Reid SA, Schmidt TW. Spectroscopy and thermochemistry of a jet-cooled open-shell polyene: 1,4-pentadienyl radical. The Journal of Chemical Physics. 135: 124306. PMID 21974521 DOI: 10.1063/1.3640475 |
0.402 |
|
2011 |
O'Reilly RJ, Chan B, Taylor MS, Ivanic S, Bacskay GB, Easton CJ, Radom L. Hydrogen abstraction by chlorine atom from amino acids: remarkable influence of polar effects on regioselectivity. Journal of the American Chemical Society. 133: 16553-9. PMID 21942745 DOI: 10.1021/Ja205962B |
0.337 |
|
2011 |
O'Reilly RJ, Karton A, Radom L. Effect of substituents on the strength of N-X (X = H, F, and Cl) bond dissociation energies: a high-level quantum chemical study. The Journal of Physical Chemistry. A. 115: 5496-504. PMID 21548557 DOI: 10.1021/Jp203108E |
0.62 |
|
2011 |
Menon AS, Henry DJ, Bally T, Radom L. Effect of substituents on the stabilities of multiply-substituted carbon-centered radicals. Organic & Biomolecular Chemistry. 9: 3636-57. PMID 21451861 DOI: 10.1039/C1Ob05196B |
0.416 |
|
2011 |
Nagy P, Karton A, Betz A, Peskin AV, Pace P, O'Reilly RJ, Hampton MB, Radom L, Winterbourn CC. Model for the exceptional reactivity of peroxiredoxins 2 and 3 with hydrogen peroxide: a kinetic and computational study. The Journal of Biological Chemistry. 286: 18048-55. PMID 21385867 DOI: 10.1074/Jbc.M111.232355 |
0.605 |
|
2011 |
Pattison DI, O'Reilly RJ, Skaff O, Radom L, Anderson RF, Davies MJ. One-electron reduction of N-chlorinated and N-brominated species is a source of radicals and bromine atom formation. Chemical Research in Toxicology. 24: 371-82. PMID 21344936 DOI: 10.1021/Tx100325Z |
0.355 |
|
2011 |
Chan B, Morris M, Radom L. OH bond dissociation energies Australian Journal of Chemistry. 64: 394-402. DOI: 10.1071/Ch11028 |
0.42 |
|
2011 |
Troy TP, Chalyavi N, Menon AS, O'Connor GD, Fückel B, Nauta K, Radom L, Schmidt TW. The spectroscopy and thermochemistry of phenylallyl radical chromophores Chemical Science. 2: 1755-1765. DOI: 10.1039/C1Sc00247C |
0.302 |
|
2011 |
Chan B, Radom L. Assessment of theoretical procedures for hydrogen-atom abstraction by chlorine, and related reactions Theoretical Chemistry Accounts. 130: 251-260. DOI: 10.1007/S00214-011-0967-Z |
0.39 |
|
2010 |
Chan B, Coote ML, Radom L. G4-SP, G4(MP2)-SP, G4-sc, and G4(MP2)-sc: Modifications to G4 and G4(MP2) for the Treatment of Medium-Sized Radicals. Journal of Chemical Theory and Computation. 6: 2647-53. PMID 26616066 DOI: 10.1021/Ct100266U |
0.513 |
|
2010 |
Sandala GM, Smith DM, Radom L. Modeling the reactions catalyzed by coenzyme B12-dependent enzymes. Accounts of Chemical Research. 43: 642-51. PMID 20136160 DOI: 10.1021/Ar900260C |
0.492 |
|
2009 |
Mintz B, Chan B, Sullivan MB, Buesgen T, Scott AP, Kass SR, Radom L, Wilson AK. Structures and thermochemistry of the alkali metal monoxide anions, monoxide radicals, and hydroxides. The Journal of Physical Chemistry. A. 113: 9501-10. PMID 19650655 DOI: 10.1021/Jp9034826 |
0.335 |
|
2009 |
Graham DC, Menon AS, Goerigk L, Grimme S, Radom L. Optimization and basis-set dependence of a restricted-open-shell form of B2-PLYP double-hybrid density functional theory. The Journal of Physical Chemistry. A. 113: 9861-73. PMID 19645437 DOI: 10.1021/Jp9042864 |
0.339 |
|
2009 |
Durbeej B, Sandala GM, Bucher D, Smith DM, Radom L. On the importance of ribose orientation in the substrate activation of the coenzyme B12-dependent mutases. Chemistry (Weinheim An Der Bergstrasse, Germany). 15: 8578-85. PMID 19630017 DOI: 10.1002/Chem.200901002 |
0.478 |
|
2009 |
Taylor MS, Ivanic SA, Wood GP, Easton CJ, Bacskay GB, Radom L. Hydrogen abstraction by chlorine atom from small organic molecules containing amino acid functionalities: an assessment of theoretical procedures. The Journal of Physical Chemistry. A. 113: 11817-32. PMID 19591497 DOI: 10.1021/Jp9029437 |
0.409 |
|
2009 |
Sandala GM, Kovacević B, Barić D, Smith DM, Radom L. On the reaction of glycerol dehydratase with but-3-ene-1,2-diol. Chemistry (Weinheim An Der Bergstrasse, Germany). 15: 4865-73. PMID 19326378 DOI: 10.1002/Chem.200802640 |
0.515 |
|
2009 |
O'Reilly RJ, Radom L. Ab initio investigation of the fragmentation of 5,5-diamino-substituted 1,4,2-oxathiazoles. Organic Letters. 11: 1325-8. PMID 19245242 DOI: 10.1021/Ol900109B |
0.397 |
|
2009 |
Zhong G, Chan B, Radom L. Low barrier hydrogenolysis of the carbon-heteroatom bond as catalyzed by HAlF(4). Organic Letters. 11: 749-51. PMID 19140697 DOI: 10.1021/Ol802826H |
0.362 |
|
2009 |
Chan B, Del Bene JE, Radom L. What factors determine whether a proton-bound homodimer has a symmetric or an asymmetric hydrogen bond? Molecular Physics. 107: 1095-1105. DOI: 10.1080/00268970902740571 |
0.315 |
|
2008 |
Wood GP, Gordon MS, Radom L, Smith DM. Nature of Glycine and Its α-Carbon Radical in Aqueous Solution: A Theoretical Investigation. Journal of Chemical Theory and Computation. 4: 1788-94. PMID 26620181 DOI: 10.1021/Ct8002942 |
0.601 |
|
2008 |
Menon AS, Radom L. Consequences of spin contamination in unrestricted calculations on open-shell species: effect of Hartree-Fock and Møller-Plesset contributions in hybrid and double-hybrid density functional theory approaches. The Journal of Physical Chemistry. A. 112: 13225-30. PMID 18759419 DOI: 10.1021/Jp803064K |
0.336 |
|
2008 |
Sandala GM, Smith DM, Radom L. The carbon-skeleton rearrangement in tropane alkaloid biosynthesis. Journal of the American Chemical Society. 130: 10684-90. PMID 18627156 DOI: 10.1021/Ja801869A |
0.516 |
|
2008 |
Chan B, Radom L. Zeolite-catalyzed hydrogenation of carbon dioxide and ethene. Journal of the American Chemical Society. 130: 9790-9. PMID 18593117 DOI: 10.1021/Ja800840Q |
0.318 |
|
2008 |
Tian Z, Chan B, Sullivan MB, Radom L, Kass SR. Lithium monoxide anion: a ground-state triplet with the strongest base to date. Proceedings of the National Academy of Sciences of the United States of America. 105: 7647-51. PMID 18511563 DOI: 10.1073/Pnas.0801393105 |
0.331 |
|
2008 |
Menon AS, Wood GPF, Moran D, Radom L. Bond dissociation energies and radical stabilization energies: An assessment of contemporary theoretical procedures (Journal of Physical Chemistry A (2007) 111A) Journal of Physical Chemistry A. 112: 5554. DOI: 10.1021/Jp803933D |
0.344 |
|
2008 |
Wood GPF, Gordon MS, Radom L, Smith DM. Nature of glycine and its a-carbon radical in aqueous solution: A theoretical investigation Journal of Chemical Theory and Computation. 4: 1788-1794. DOI: 10.1021/ct8002942 |
0.351 |
|
2007 |
Menon AS, Wood GP, Moran D, Radom L. Bond dissociation energies and radical stabilization energies: an assessment of contemporary theoretical procedures. The Journal of Physical Chemistry. A. 111: 13638-44. PMID 18047305 DOI: 10.1021/Jp076521R |
0.389 |
|
2007 |
Merrick JP, Moran D, Radom L. An evaluation of harmonic vibrational frequency scale factors. The Journal of Physical Chemistry. A. 111: 11683-700. PMID 17948971 DOI: 10.1021/Jp073974N |
0.339 |
|
2007 |
Chan B, Radom L. Uncatalyzed transfer hydrogenation of quinones and related systems: a theoretical mechanistic study. The Journal of Physical Chemistry. A. 111: 6456-67. PMID 17585851 DOI: 10.1021/Jp072837N |
0.403 |
|
2007 |
Sandala GM, Smith DM, Marsh EN, Radom L. Toward an improved understanding of the glutamate mutase system. Journal of the American Chemical Society. 129: 1623-33. PMID 17249667 DOI: 10.1021/Ja066432C |
0.495 |
|
2007 |
Zhong G, Chan B, Radom L. Hydrogenation of simple aromatic molecules: a computational study of the mechanism. Journal of the American Chemical Society. 129: 924-33. PMID 17243829 DOI: 10.1021/Ja066251A |
0.325 |
|
2007 |
Zhong G, Chan B, Radom L. Uncatalyzed 1,4-hydrogenation of polycyclic aromatic hydrocarbons: A computational study Journal of Molecular Structure: Theochem. 811: 13-17. DOI: 10.1016/J.Theochem.2007.02.030 |
0.348 |
|
2006 |
Hemelsoet K, Van Speybroeck V, Moran D, Marin GB, Radom L, Waroquier M. Thermochemistry and kinetics of hydrogen abstraction by methyl radical from polycyclic aromatic hydrocarbons. The Journal of Physical Chemistry. A. 110: 13624-31. PMID 17165891 DOI: 10.1021/Jp065141N |
0.392 |
|
2006 |
Sandala GM, Smith DM, Radom L. In search of radical intermediates in the reactions catalyzed by lysine 2,3-aminomutase and lysine 5,6-aminomutase. Journal of the American Chemical Society. 128: 16004-5. PMID 17165731 DOI: 10.1021/Ja0668421 |
0.493 |
|
2006 |
Wee S, Mortimer A, Moran D, Wright A, Barlow CK, O'Hair RA, Radom L, Easton CJ. Gas-phase regiocontrolled generation of charged amino acid and peptide radicals. Chemical Communications (Cambridge, England). 4233-5. PMID 17031442 DOI: 10.1039/B608724H |
0.31 |
|
2006 |
Wood GP, Radom L, Petersson GA, Barnes EC, Frisch MJ, Montgomery JA. A restricted-open-shell complete-basis-set model chemistry. The Journal of Chemical Physics. 125: 094106. PMID 16965071 DOI: 10.1063/1.2335438 |
0.557 |
|
2006 |
Hemelsoet K, Moran D, Van Speybroeck V, Waroquier M, Radom L. An assessment of theoretical procedures for predicting the thermochemistry and kinetics of hydrogen abstraction by methyl radical from benzene. The Journal of Physical Chemistry. A. 110: 8942-51. PMID 16836458 DOI: 10.1021/Jp061823Z |
0.404 |
|
2006 |
Chan B, Radom L. Design of effective zeolite catalysts for the complete hydrogenation of CO2. Journal of the American Chemical Society. 128: 5322-3. PMID 16620086 DOI: 10.1021/Ja0602492 |
0.307 |
|
2006 |
Sandala GM, Smith DM, Coote ML, Golding BT, Radom L. Insights into the hydrogen-abstraction reactions of diol dehydratase: relevance to the catalytic mechanism and suicide inactivation. Journal of the American Chemical Society. 128: 3433-44. PMID 16522124 DOI: 10.1021/Ja057902Q |
0.64 |
|
2006 |
Miller DJ, Smith DM, Chan B, Radom L. Transfer hydrogenation between ethane and ethene: A critical assessment of theoretical procedures Molecular Physics. 104: 777-794. DOI: 10.1080/00268970500417093 |
0.479 |
|
2006 |
Moran D, Jacob R, Wood GPF, Coote ML, Davies MJ, O'Hair RAJ, Easton CJ, Radom L. Rearrangements in model peptide-type radicals via intramolecular hydrogen-atom transfer Helvetica Chimica Acta. 89: 2254-2272. DOI: 10.1002/Hlca.200690210 |
0.555 |
|
2005 |
Wood GP, Rauk A, Radom L. Modeling β-Scission Reactions of Peptide Backbone Alkoxy Radicals: Backbone C-C Bond Fission. Journal of Chemical Theory and Computation. 1: 889-99. PMID 26641905 DOI: 10.1021/Ct050133G |
0.391 |
|
2005 |
Chan B, Del Bene JE, Elguero J, Radom L. On the relationship between the preferred site of hydrogen bonding and protonation. The Journal of Physical Chemistry. A. 109: 5509-17. PMID 16839079 DOI: 10.1021/Jp0516994 |
0.351 |
|
2005 |
Izgorodina EI, Coote ML, Radom L. Trends in R-X bond dissociation energies (R = Me, Et, i-Pr, t-Bu; X = H, CH3, OCH3, OH, F): a surprising shortcoming of density functional theory. The Journal of Physical Chemistry. A. 109: 7558-66. PMID 16834125 DOI: 10.1021/Jp052021R |
0.713 |
|
2005 |
Corral I, Mó O, Yáñez M, Radom L. Why are the Ca2+ and K+ binding energies of formaldehyde and ammonia reversed with respect to their proton affinities? The Journal of Physical Chemistry. A. 109: 6735-42. PMID 16834027 DOI: 10.1021/Jp051052J |
0.681 |
|
2005 |
Wood GP, Moran D, Jacob R, Radom L. Bond dissociation energies and radical stabilization energies associated with model peptide-backbone radicals. The Journal of Physical Chemistry. A. 109: 6318-25. PMID 16833974 DOI: 10.1021/Jp051860A |
0.406 |
|
2005 |
Haworth NL, Sullivan MB, Wilson AK, Martin JM, Radom L. Structures and thermochemistry of calcium-containing molecules. The Journal of Physical Chemistry. A. 109: 9156-68. PMID 16332025 DOI: 10.1021/Jp052889H |
0.756 |
|
2005 |
Sandala GM, Smith DM, Radom L. Divergent mechanisms of suicide inactivation for ethanolamine ammonia-lyase. Journal of the American Chemical Society. 127: 8856-64. PMID 15954794 DOI: 10.1021/Ja051527K |
0.487 |
|
2005 |
Chan B, Radom L. Base-catalyzed hydrogenation: rationalizing the effects of catalyst and substrate structures and solvation. Journal of the American Chemical Society. 127: 2443-54. PMID 15724999 DOI: 10.1021/Ja0450253 |
0.37 |
|
2004 |
Barratt BJ, Easton CJ, Henry DJ, Li IH, Radom L, Simpson JS. Inhibition of peptidylglycine alpha-amidating monooxygenase by exploitation of factors affecting the stability and ease of formation of glycyl radicals. Journal of the American Chemical Society. 126: 13306-11. PMID 15479085 DOI: 10.1021/Ja046204N |
0.354 |
|
2004 |
Sandala GM, Smith DM, Coote ML, Radom L. Suicide inactivation of dioldehydratase by glycolaldehyde and chloroacetaldehyde: an examination of the reaction mechanism. Journal of the American Chemical Society. 126: 12206-7. PMID 15453720 DOI: 10.1021/Ja047377F |
0.658 |
|
2004 |
Topf M, Sandala GM, Smith DM, Schofield CJ, Easton CJ, Radom L. The unusual bifunctional catalysis of epimerization and desaturation by carbapenem synthase. Journal of the American Chemical Society. 126: 9932-3. PMID 15303862 DOI: 10.1021/Ja047899V |
0.475 |
|
2004 |
Henry DJ, Coote ML, Gómez-Balderas R, Radom L. Comparison of the kinetics and thermodynamics for methyl radical addition to C=C, C=O, and C=S double bonds. Journal of the American Chemical Society. 126: 1732-40. PMID 14871104 DOI: 10.1021/Ja039139A |
0.573 |
|
2004 |
Chan B, Radom L. Understanding metal-free catalytic hydrogenation: A systematic theoretical study of the hydrogenation of ethene Australian Journal of Chemistry. 57: 659-663. DOI: 10.1071/Ch04031 |
0.351 |
|
2004 |
Gill PMW, Gordon MS, Head-Gordon M, Radom L. Remembrance: John A. Pople (1925–2004) The Journal of Chemical Physics. 120: 9445-9445. DOI: 10.1063/1.1757682 |
0.497 |
|
2004 |
Coote ML, Radom L. Substituent effects in xanthate-mediated polymerization of vinyl acetate: Ab initio evidence for an alternative fragmentation pathway Macromolecules. 37: 590-596. DOI: 10.1021/Ma035477K |
0.582 |
|
2004 |
Corral I, Mó O, Yáñez M, Salpin JY, Tortajada J, Radom L. Gas-phase reactions between urea and Ca2-: The importance of coulomb explosions Journal of Physical Chemistry A. 108: 10080-10088. DOI: 10.1021/Jp046624Z |
0.44 |
|
2004 |
Gómez-Balderas R, Coote ML, Henry DJ, Radom L. Reliable Theoretical Procedures for Calculating the Rate of Methyl Radical Addition to Carbon-Carbon Double and Triple Bonds Journal of Physical Chemistry A. 108: 2874-2883. DOI: 10.1021/Jp036375Z |
0.602 |
|
2003 |
Coote ML, Pross A, Radom L. Variable trends in R-X bond dissociation energies (R = Me, Et, i-Pr, t-Bu). Organic Letters. 5: 4689-92. PMID 14627416 DOI: 10.1021/Ol035860+ |
0.54 |
|
2003 |
Croft AK, Easton CJ, Radom L. Design of radical-resistant amino acid residues: a combined theoretical and experimental investigation. Journal of the American Chemical Society. 125: 4119-24. PMID 12670233 DOI: 10.1021/Ja029674V |
0.364 |
|
2003 |
Coote ML, Radom L. Ab initio evidence for slow fragmentation in RAFT polymerization. Journal of the American Chemical Society. 125: 1490-1. PMID 12568604 DOI: 10.1021/Ja028645H |
0.584 |
|
2003 |
Rauk A, Boyd RJ, Boyd SL, Henry DJ, Radom L. Alkoxy radicals in the gaseous phase: β-scission reactions and formation by radical addition to carbonyl compounds Canadian Journal of Chemistry. 81: 431-442. DOI: 10.1139/V02-206 |
0.388 |
|
2003 |
Coote ML, Collins MA, Radom L. Calculation of accurate imaginary frequencies and tunnelling coefficients for hydrogen abstraction reactions using IRCmax Molecular Physics. 101: 1329-1338. DOI: 10.1080/0026897031000085092 |
0.541 |
|
2003 |
Henry DJ, Beckwith ALJ, Radom L. Homoanomeric effect in the 1,2-dimethoxyethyl radical Australian Journal of Chemistry. 56: 429-436. DOI: 10.1071/Ch02255 |
0.388 |
|
2003 |
Collins MA, Radom L. Proton-transport catalysis, proton abstraction, and proton exchange in HF+HOC+ and H2O+HOC+ and analogous deuterated reactions Journal of Chemical Physics. 118: 6222-6229. DOI: 10.1063/1.1559480 |
0.338 |
|
2003 |
Corral I, Mó O, Yáñez M, Scott AP, Radom L. Interactions between neutral molecules and Ca2+: An assessment of theoretical procedures Journal of Physical Chemistry A. 107: 10456-10461. DOI: 10.1021/Jp0363491 |
0.518 |
|
2003 |
Wood GPF, Henry DJ, Radom L. Performance of the RB3-LYP, RMP2, and UCCSD(T) procedures in calculating radical stabilization energies for •NHX radicals Journal of Physical Chemistry A. 107: 7985-7990. DOI: 10.1021/Jp035945S |
0.399 |
|
2003 |
Gómez-Balderas R, Coote ML, Henry DJ, Fischer H, Radom L. What is the origin of the contrathermodynamic behavior in methyl radical addition to alkynes versus alkenes? Journal of Physical Chemistry A. 107: 6082-6090. DOI: 10.1021/Jp035042Z |
0.585 |
|
2003 |
Sullivan MB, Iron MA, Redfern PC, Martin JML, Curtiss LA, Radom L. Heats of formation of alkali metal and alkaline earth metal oxides and hydroxides: Surprisingly demanding targets for high-level ab initio procedures Journal of Physical Chemistry A. 107: 5617-5630. DOI: 10.1021/Jp034851F |
0.349 |
|
2003 |
Croft AK, Easton CJ, Kociuba K, Radom L. Strategic use of amino acid N-substituents to limit α-carbon- centered radical formation and consequent loss of stereochemical integrity Tetrahedron Asymmetry. 14: 2919-2926. DOI: 10.1016/S0957-4166(03)00542-1 |
0.374 |
|
2003 |
Barner-Kowollik C, Coote ML, Davis TP, Radom L, Vana P. The reversible addition-fragmentation chain transfer process and the strength and limitations of modeling: Comment on "The magnitude of the fragmentation rate coefficient" Journal of Polymer Science, Part a: Polymer Chemistry. 41: 2828-2832. DOI: 10.1002/Pola.10854 |
0.614 |
|
2002 |
Wetmore SD, Smith DM, Bennett JT, Radom L. Understanding the mechanism of action of B12-dependent ethanolamine ammonia-lyase: synergistic interactions at play. Journal of the American Chemical Society. 124: 14054-65. PMID 12440904 DOI: 10.1021/Ja027579G |
0.448 |
|
2002 |
Lee CKY, Easton CJ, Gebara-Coghlan M, Radom L, Scott AP, Simpson GW, Willis AC. Substituent effects in isoxazoles: Identification of 4-substituted isoxazoles as Michael acceptors Journal of the Chemical Society. Perkin Transactions 2. 2031-2038. DOI: 10.1039/B207808B |
0.358 |
|
2002 |
Coote ML, Wood GPF, Radom L. Methyl radical addition to C=S double bonds: Kinetic versus thermodynamic preferences Journal of Physical Chemistry A. 106: 12124-12138. DOI: 10.1021/Jp0267656 |
0.597 |
|
2002 |
Henry DJ, Parkinson CJ, Radom L. An assessment of the performance of high-level theoretical procedures in the computation of the heats of formation of small open-shell molecules Journal of Physical Chemistry A. 106: 7927-7936. DOI: 10.1021/Jp0260752 |
0.359 |
|
2002 |
Birch AJ, Hinde AL, Radom L. A theoretical approach to the Birch reduction. Structures and stabilities of cyclohexadienyl radicals Cheminform. 12. DOI: 10.1021/Ja00532A016 |
0.323 |
|
2001 |
Wetmore SD, Smith DM, Radom L. Catalysis by mutants of methylmalonyl-CoA mutase: a theoretical rationalization for a change in the rate-determining step. Chembiochem : a European Journal of Chemical Biology. 2: 919-22. PMID 11948881 DOI: 10.1002/1439-7633(20011203)2:12<919::Aid-Cbic919>3.0.Co;2-6 |
0.385 |
|
2001 |
Wetmore SD, Smith DM, Radom L. Enzyme catalysis of 1,2-amino shifts: the cooperative action of B6, B12, and aminomutases. Journal of the American Chemical Society. 123: 8678-89. PMID 11535072 DOI: 10.1021/Ja010211J |
0.349 |
|
2001 |
Wetmore SD, Smith DM, Golding BT, Radom L. Interconversion of (S)-glutamate and (2S,3S)-3-methylaspartate: a distinctive B(12)-dependent carbon-skeleton rearrangement. Journal of the American Chemical Society. 123: 7963-72. PMID 11506551 DOI: 10.1021/Ja004246F |
0.468 |
|
2001 |
Smith DM, Golding BT, Radom L. Understanding the mechanism of B(12)-dependent diol dehydratase: a synergistic retro-push--pull proposal. Journal of the American Chemical Society. 123: 1664-75. PMID 11456766 DOI: 10.1021/Ja001454Z |
0.493 |
|
2001 |
Scott AP, Platz MS, Radom L. Singlet-triplet splittings and barriers to Wolff rearrangement for carbonyl carbenes. Journal of the American Chemical Society. 123: 6069-76. PMID 11414840 DOI: 10.1021/Ja004236E |
0.395 |
|
2001 |
Sølling TI, Radom L. A G2 study of SH+ exchange reactions involving lone-pair donors and unsaturated hydrocarbons. Chemistry (Weinheim An Der Bergstrasse, Germany). 7: 1516-24. PMID 11330907 DOI: 10.1002/1521-3765(20010401)7:7<1516::Aid-Chem1516>3.0.Co;2-Q |
0.35 |
|
2001 |
Fischer H, Radom L. Factors Controlling the Addition of Carbon-Centered Radicals to Alkenes-An Experimental and Theoretical Perspective. Angewandte Chemie (International Ed. in English). 40: 1340-1371. PMID 11317286 DOI: 10.1002/1521-3773(20010417)40:8<1340::Aid-Anie1340>3.0.Co;2-# |
0.384 |
|
2001 |
Sølling TI, Smith DM, Radom L, Freitag MA, Gordon MS. Towards multireference equivalents of the G2 and G3 methods Journal of Chemical Physics. 115: 8758-8772. DOI: 10.1063/1.1411998 |
0.503 |
|
2001 |
Wetmore SD, Schofield R, Smith DM, Radom L. A theoretical investigation of the effects of electronegative substitution on the strength of C-H⋯N hydrogen bonds Journal of Physical Chemistry A. 105: 8718-8726. DOI: 10.1021/Jp011087T |
0.454 |
|
2001 |
Henry DJ, Parkinson CJ, Mayer PM, Radom L. Bond dissociation energies and radical stabilization energies associated with substituted methyl radicals Journal of Physical Chemistry A. 105: 6750-6756. DOI: 10.1021/Jp010442C |
0.419 |
|
2001 |
Hartmann M, Wetmore SD, Radom L. C−H···X Hydrogen Bonds of Acetylene, Ethylene, and Ethane with First- and Second-Row Hydrides The Journal of Physical Chemistry A. 105: 4470-4479. DOI: 10.1021/Jp001672E |
0.39 |
|
2001 |
Smith DM, Wetmore SD, Radom L. Chapter 5 - Theoretical studies of coenzyme B 12 -dependent carbon-skeleton rearrangements Theoretical and Computational Chemistry. 9: 183-214. DOI: 10.1016/S1380-7323(01)80006-6 |
0.394 |
|
2000 |
Rasmussen DR, Radom L. Hemispiroalkaplanes: hydrocarbon cage systems with a pyramidal-tetracoordinate carbon atom and remarkable basicity Chemistry (Weinheim An Der Bergstrasse, Germany). 6: 2470-83. PMID 10939749 DOI: 10.1002/1521-3765(20000703)6:13<2470::Aid-Chem2470>3.0.Co;2-K |
0.37 |
|
2000 |
Sølling TI, Radom L. Exchange of Cl+ between lone-pair donors and π-donors: A computational study European Journal of Mass Spectrometry. 6: 153-160. DOI: 10.1255/Ejms.335 |
0.373 |
|
2000 |
Hartmann M, Radom L. The acetylene-ammonia dimer as a prototypical C-H⋯N hydrogen-bonded system: An assessment of theoretical procedures Journal of Physical Chemistry A. 104: 968-973. DOI: 10.1021/Jp992234E |
0.373 |
|
2000 |
Senger S, Radom L. Toward a low-barrier transition-metal-free catalysis of hydrogenation reactions: A theoretical mechanistic study of HAlX4-catalyzed hydrogenations of ethene (X = F, Cl, and Br) Journal of Physical Chemistry A. 104: 7375-7385. DOI: 10.1021/Jp001226R |
0.366 |
|
2000 |
Chalk AJ, Mayer PM, Radom L. Rearrangement and fragmentation pathways of [C3H7Z]+ ions (Z = NH and S): Are ion-neutral complexes important? International Journal of Mass Spectrometry. 194: 181-196. DOI: 10.1016/S1387-3806(99)00127-X |
0.353 |
|
2000 |
Sølling TI, Wild SB, Radom L. Formation of three-membered phosphorus heterocycles via ligand-exchange reactions in mono-adducts of the phosphenium ion: An ab initio investigation International Journal of Mass Spectrometry. 201: 205-213. DOI: 10.1016/S1387-3806(00)00224-4 |
0.338 |
|
2000 |
Chalk AJ, Radom L. The involvement of ion-neutral complexes in ethylene loss from [PhC(CH3)2]+ and its isomers International Journal of Mass Spectrometry. 199: 29-40. DOI: 10.1016/S1387-3806(00)00169-X |
0.345 |
|
2000 |
Coote ML, Davis TP, Radom L. Models for free-radical copolymerization propagation kinetics Acs Symposium Series. 768: 82-92. |
0.345 |
|
1999 |
Sølling TI, Wild SB, Radom L. A G2 Ab Initio Investigation of Ligand-Exchange Reactions Involving Mono- and Bis-Adducts of the Phosphenium Ion. Inorganic Chemistry. 38: 6049-6054. PMID 11671312 DOI: 10.1021/Ic991080E |
0.33 |
|
1999 |
Rasmussen DR, Radom L. Planar-Tetracoordinate Carbon in a Neutral Saturated Hydrocarbon: Theoretical Design and Characterization. Angewandte Chemie (International Ed. in English). 38: 2875-2878. PMID 10540378 DOI: 10.1002/(Sici)1521-3773(19991004)38:19<2875::Aid-Anie2875>3.0.Co;2-D |
0.334 |
|
1999 |
Parkinson CJ, Mayer PM, Radom L. An assessment of theoretical procedures for the calculation of reliable radical stabilization energies Journal of the Chemical Society. Perkin Transactions 2. 2305-2313. DOI: 10.1039/A905476F |
0.362 |
|
1999 |
Coote ML, Davis TP, Radom L. Conformational dependence of the penultimate unit effect in free-radical copolymerization Macromolecules. 32: 5270-5276. DOI: 10.1021/Ma990468Q |
0.559 |
|
1999 |
Coote ML, Davis TP, Radom L. Conformational Dependence of the Penultimate Unit Effect in Free-Radical Copolymerization Macromolecules. 32: 5270-5276. DOI: 10.1021/MA990468Q |
0.371 |
|
1999 |
Coote ML, Davis TP, Radom L. Effect of the penultimate unit on radical stability and reactivity in free-radical polymerization Macromolecules. 32: 2935-2940. DOI: 10.1021/Ma9818073 |
0.634 |
|
1999 |
Schulz A, Smith BJ, Radom L. Heats of Formation of Alkali and Alkaline Earth Oxides and Hydroxides: Some Dramatic Failures of the G2 Method Journal of Physical Chemistry A. 103: 7522-7527. DOI: 10.1021/Jp991577+ |
0.347 |
|
1999 |
Smith DM, Golding BT, Radom L. Understanding the mechanism of B12-dependent methylmalonyl-CoA mutase: Partial proton transfer in action Journal of the American Chemical Society. 121: 9388-9399. DOI: 10.1021/Ja991649A |
0.511 |
|
1999 |
Smith DM, Golding BT, Radom L. Toward a consistent mechanism for diol dehydratase catalyzed reactions: An application of the partial-proton-transfer concept Journal of the American Chemical Society. 121: 5700-5704. DOI: 10.1021/Ja990209G |
0.432 |
|
1999 |
Smith DM, Golding BT, Radom L. Facilitation of enzyme-catalyzed reactions by partial proton transfer: Application to coenzyme-B12-dependent methylmalonyl-CoA mutase [3] Journal of the American Chemical Society. 121: 1383-1384. DOI: 10.1021/Ja983512A |
0.419 |
|
1999 |
Chalk AJ, Radom L. Ion-transport catalysis: Catalyzed isomerizations of NNH+ and NNCH3 + Journal of the American Chemical Society. 121: 1574-1581. DOI: 10.1021/Ja982928L |
0.343 |
|
1999 |
Smith DM, Golding BT, Radom L. On the mechanism of action of vitamin B12: Theoretical studies of the 2-methyleneglutarate mutase catalyzed rearrangement Journal of the American Chemical Society. 121: 1037-1044. DOI: 10.1021/Ja9827245 |
0.492 |
|
1999 |
Petrie S, Radom L. Magnesium- and calcium-containing molecular dications: A high-level theoretical study International Journal of Mass Spectrometry. 192: 173-183. DOI: 10.1016/S1387-3806(99)00115-3 |
0.378 |
|
1999 |
Sølling TI, Radom L. Exchange reactions of chloriranium and chlorirenium ions: a G2 investigation International Journal of Mass Spectrometry. 185: 263-270. DOI: 10.1016/S1387-3806(98)14138-6 |
0.395 |
|
1999 |
Coote ML, Davis TP, Radom L. The effect of remote substituents in free radical addition reactions: New evidence for the penultimate unit effect Journal of Molecular Structure: Theochem. 461: 91-96. DOI: 10.1016/S0166-1280(98)00427-8 |
0.645 |
|
1999 |
Sølling TI, Bruce Wild S, Radom L. Exchange and insertion reactions involving borane adducts of phosphirane and phosphirene: A G2(MP2) ab initio investigation Journal of Organometallic Chemistry. 580: 320-327. DOI: 10.1016/S0022-328X(98)01169-3 |
0.39 |
|
1999 |
Parkinson CJ, Mayer PM, Radom L. Cyanovinyl radical: An illustration of the poor performance of unrestricted perturbation theory and density functional theory procedures in calculating radical stabilization energies Theoretical Chemistry Accounts. 102: 92-96. DOI: 10.1007/S002140050477 |
0.411 |
|
1999 |
Sølling TI, Wild SB, Radom L. Are Pi-ligand exchange reactions of thiirenium and thiiranium ions feasible? An ab initio investigation Chemistry - a European Journal. 5: 509-514. DOI: 10.1002/(Sici)1521-3765(19990201)5:2<509::Aid-Chem509>3.0.Co;2-M |
0.318 |
|
1998 |
Radom L, Rasmussen DR. The planar carbon story Pure and Applied Chemistry. 70: 1977-1984. DOI: 10.1351/Pac199870101977 |
0.364 |
|
1998 |
McKee ML, Mayer PM, Radom L. An ab initio study of ionised cyclobutanone and cyclopentanone. Comparison of the thermodynamic and kinetic stabilities of the distonic isomers • CH 2 (CH 2 ) n + C=O European Journal of Mass Spectrometry. 4: 23-30. DOI: 10.1255/Ejms.187 |
0.377 |
|
1998 |
Duke BJ, Radom L. Gaussian-2 (G2) theory for third-row elements: A systematic study of the effect of the 3d orbitals Journal of Chemical Physics. 109: 3352-3359. DOI: 10.1063/1.476930 |
0.342 |
|
1998 |
Mayer PM, Parkinson CJ, Smith DM, Radom L. Erratum: “An assessment of theoretical procedures for the calculation of reliable free radical thermochemistry: A recommended new procedure” [J. Chem. Phys. 108, 604 (1998)] The Journal of Chemical Physics. 108: 9598-9598. DOI: 10.1063/1.476372 |
0.48 |
|
1998 |
Mayer PM, Parkinson CJ, Smith DM, Radom L. An assessment of theoretical procedures for the calculation of reliable free radical thermochemistry: A recommended new procedure Journal of Chemical Physics. 108: 604-615. DOI: 10.1063/1.476256 |
0.527 |
|
1998 |
Scott AP, Golding BT, Radom L. Remarkable cleavage of molecular hydrogen without the use of metallic catalysts: A theoretical investigation New Journal of Chemistry. 22: 1171-1173. DOI: 10.1039/A806358C |
0.332 |
|
1998 |
Mayer PM, Taylor MS, Wong MW, Radom L. Thermochemistry of CH3CN, CH3NC, and their cyclic isomers and related radicals, cations, and anions: Some curious discrepancies between theory and experiment Journal of Physical Chemistry A. 102: 7074-7080. DOI: 10.1021/Jp982272I |
0.453 |
|
1998 |
Wong MW, Radom L. Radical addition to alkenes: Further assessment of theoretical procedures Journal of Physical Chemistry A. 102: 2237-2245. DOI: 10.1021/Jp973427+ |
0.321 |
|
1998 |
Sølling TI, McDonald MA, Wild SB, Radom L. Novel pi-ligand exchange and insertion reactions involving three- membered phosphorus heterocycles: An ab initio investigation Journal of the American Chemical Society. 120: 7063-7068. DOI: 10.1021/Ja980494O |
0.411 |
|
1998 |
Chalk AJ, Radom L. The importance of ion-neutral complexes in gas-phase ionic reactions: Fragmentation of [CH3CH2OCH2]+ as a prototypical case Journal of the American Chemical Society. 120: 8430-8437. DOI: 10.1021/Ja9741786 |
0.397 |
|
1997 |
Blaudeau JP, McGrath MP, Curtiss LA, Radom L. Extension of Gaussian-2 (G2) theory to molecules containing third-row atoms K and Ca Journal of Chemical Physics. 107: 5016-5021. DOI: 10.1063/1.474865 |
0.358 |
|
1997 |
East ALL, Radom L. Ab initio statistical thermodynamical models for the computation of third-law entropies Journal of Chemical Physics. 106: 6655-6674. DOI: 10.1063/1.473958 |
0.315 |
|
1997 |
Gauld JW, Eriksson LA, Radom L. Assessment of procedures for calculating radical hyperfine structures Journal of Physical Chemistry A. 101: 1352-1359. DOI: 10.1021/Jp961328A |
0.373 |
|
1997 |
Aubry C, Polce MJ, Holmes JL, Mayer PM, Radom L. Dimethylcarbene, its radical cation and dication Journal of the American Chemical Society. 119: 9039-9041. DOI: 10.1021/Ja971190P |
0.327 |
|
1997 |
Chalk AJ, Radom L. Proton-transport catalysis: A systematic study of the rearrangement of the isoformyl cation to the formyl cation Journal of the American Chemical Society. 119: 7573-7578. DOI: 10.1021/Ja971055C |
0.375 |
|
1997 |
East ALL, Smith BJ, Radom L. Entropies and free energies of protonation and proton-transfer reaction Journal of the American Chemical Society. 119: 9014-9020. DOI: 10.1021/Ja970891J |
0.349 |
|
1997 |
Nicolaides A, Smith DM, Jensen F, Radom L. Phenyl radical, cation, and anion. The triplet-singlet gap and higher excited states of the phenyl cation Journal of the American Chemical Society. 119: 8083-8088. DOI: 10.1021/Ja970808S |
0.502 |
|
1997 |
Gauld JW, Radom L. Effects of neutral bases on the isomerization of conventional radical cations CH3X.+ to their distonic isomers .CH2X+H (X = F, OH, NH2); proton-transport catalysis and other mechanisms Journal of the American Chemical Society. 119: 9831-9839. DOI: 10.1021/Ja970785H |
0.356 |
|
1997 |
Nicolaides A, Radom L. Classical and nonclassical isomers of tropylium, silatropylium, and germatropylium cations. Descending the periodic table increases the preference for nonclassical structures Journal of the American Chemical Society. 119: 11933-11937. DOI: 10.1021/Ja9703281 |
0.384 |
|
1997 |
Mayer PM, Gal JF, Radom L. The heats of formation, gas-phase acidities, and related thermochemical properties of the third-row hydrides GeH4, AsH3, SeH2 and HBr from G2 ab initio calculations International Journal of Mass Spectrometry and Ion Processes. 167: 689-696. DOI: 10.1016/S0168-1176(97)00127-4 |
0.41 |
|
1997 |
Scott AP, Radom L. Ketene and ketene radical cation: The unusual effect of methyl and dimethyl substitution International Journal of Mass Spectrometry and Ion Processes. 160: 73-81. DOI: 10.1016/S0168-1176(96)04492-8 |
0.327 |
|
1997 |
Mayer PM, Radom L. An ab initio study concerning the experimental observability of C3H6 2+ isomers Chemical Physics Letters. 280: 244-250. DOI: 10.1016/S0009-2614(97)01119-6 |
0.405 |
|
1997 |
Gauld JW, Radom L. Accurate theoretical structures of radical cations containing unusually long bonds: the structures of CH3CH2OH.+, ĊH2CH2O+H2 Chemical Physics Letters. 275: 28-34. DOI: 10.1016/S0009-2614(97)00734-3 |
0.395 |
|
1996 |
Glukhovtsev MN, Pross A, McGrath MP, Radom L. Erratum: Extension of Gaussian‐2 (G2) theory to bromine‐ and iodine‐containing molecules: Use of effective core potentials [J. Chem. Phys. 103, 1878 (1995)] The Journal of Chemical Physics. 104: 3407-3407. DOI: 10.1063/1.471822 |
0.336 |
|
1996 |
Curtiss LA, Redfern PC, Smith BJ, Radom L. Gaussian-2 (G2) theory: Reduced basis set requirements Journal of Chemical Physics. 104: 5148-5152. DOI: 10.1063/1.471141 |
0.334 |
|
1996 |
Heuts JPA, Pross A, Radom L. Hydrogen transfer between ethyl radical and ethylene: An example where kinetics does not follow thermodynamics Journal of Physical Chemistry. 100: 17087-17089. DOI: 10.1021/Jp962379A |
0.39 |
|
1996 |
Heuts JPA, Gilbert RG, Radom L. Determination of Arrhenius parameters for propagation in free-radical polymerizations: An assessment of ab initio procedures Journal of Physical Chemistry. 100: 18997-19006. DOI: 10.1021/Jp9614097 |
0.548 |
|
1996 |
Scott AP, Radom L. Harmonic vibrational frequencies: An evaluation of Hartree-Fock, Møller-Plesset, quadratic configuration interaction, density functional theory, and semiempirical scale factors Journal of Physical Chemistry. 100: 16502-16513. DOI: 10.1021/Jp960976R |
0.333 |
|
1996 |
McKee ML, Nicolaides A, Radom L. A theoretical study of chlorine atom and methyl radical addition to nitrogen bases: Why do Cl atoms form two-center - Three electron bonds whereas CH3 radicals form two-center - Two-electron bonds? Journal of the American Chemical Society. 118: 10571-10576. DOI: 10.1021/Ja9613973 |
0.415 |
|
1996 |
Nicolaides A, Radom L. Relative stabilities and hydride affinities of silatropylium and silabenzyl cations and their isomers. Comparison with the carbon analogues tropylium and benzyl cations Journal of the American Chemical Society. 118: 10561-10570. DOI: 10.1021/Ja9609664 |
0.414 |
|
1996 |
Gauld JW, Audier H, Fossey J, Radom L. Water-catalyzed interconversion of conventional and distonic radical cations: Methanol and methyleneoxonium radical cations Journal of the American Chemical Society. 118: 6299-6300. DOI: 10.1021/Ja960924F |
0.317 |
|
1996 |
Gauld JW, Glukhovtsev MN, Radom L. The structure of the methanol radical cation: An artificially short C-O bond with MP2 theory Chemical Physics Letters. 262: 187-193. DOI: 10.1016/0009-2614(96)01040-8 |
0.445 |
|
1996 |
Glukhovtsev MN, Bach RD, Pross A, Radom L. The performance of B3-LYP density functional theory in describing SN2 reactions at saturated carbon Chemical Physics Letters. 260: 558-564. DOI: 10.1016/0009-2614(96)00923-2 |
0.377 |
|
1995 |
Russell AJ, Scott AP, Radom L. Ab initio predictions of the gas-phase acidities of diazirine and diazomethane Australian Journal of Chemistry. 48: 401-405. DOI: 10.1071/Ch9950401 |
0.354 |
|
1995 |
Glukhovtsev MN, Pross A, McGrath MP, Radom L. Extension of Gaussian‐2 (G2) theory to bromine‐ and iodine‐containing molecules: Use of effective core potentials The Journal of Chemical Physics. 103: 1878-1885. DOI: 10.1063/1.469712 |
0.394 |
|
1995 |
Glukhovtsev MN, Pross A, Nicolaides A, Radom L. Is the most stable gas-phase isomer of the benzenium cation a face-protonated π-complex? Journal of the Chemical Society, Chemical Communications. 2347-2348. DOI: 10.1039/C39950002347 |
0.328 |
|
1995 |
Heuts JPA, Gilbert RG, Radom L. A Priori Prediction of Propagation Rate Coefficients in Free-Radical Polymerizations: Propagation of Ethylene Macromolecules. 28: 8771-8781. DOI: 10.1021/Ma00130A009 |
0.556 |
|
1995 |
Wong MW, Radom L. Radical Addition to Alkenes: An Assessment of Theoretical Procedures The Journal of Physical Chemistry. 99: 8582-8588. DOI: 10.1021/J100021A021 |
0.391 |
|
1995 |
Smith BJ, Radom L. Calculation of Proton Affinities Using the G2(MP2,SVP) Procedure The Journal of Physical Chemistry. 99: 6468-6471. DOI: 10.1021/J100017A028 |
0.335 |
|
1995 |
Smith BJ, Radom L. Gas-phase acidities: a comparison of density functional, MP2, MP4, F4, G2(MP2, SVP), G2(MP2) and G2 procedures Chemical Physics Letters. 245: 123-128. DOI: 10.1016/0009-2614(95)00988-G |
0.316 |
|
1994 |
Wong MW, Pross A, Radom L. Addition of tert-Butyl Radical to Substituted Alkenes: A Theoretical Study of the Reaction Mechanism Journal of the American Chemical Society. 116: 11938-11943. DOI: 10.1021/Ja00105A037 |
0.401 |
|
1994 |
Scott AP, Nobes RH, Schaefer HF, Radom L. The Wolff Rearrangement: The Relevant Portion of the Oxirene-Ketene Potential Energy Hypersurface Journal of the American Chemical Society. 116: 10159-10164. DOI: 10.1021/Ja00101A039 |
0.356 |
|
1994 |
Wong MW, Pross A, Radom L. Comparison of the Addition of CH3.bul., CH2OH.bul., and CH2CN.bul. Radicals to Substituted Alkenes: A Theoretical Study of the Reaction Mechanism Journal of the American Chemical Society. 116: 6284-6292. DOI: 10.1021/Ja00093A031 |
0.391 |
|
1994 |
Vacek G, Galbraith JM, Yamaguchi Y, Schaefer HF, Nobes RH, Scott AP, Radom L. Oxirene: To Be or Not To Be? The Journal of Physical Chemistry. 98: 8660-8665. DOI: 10.1021/J100086A013 |
0.358 |
|
1994 |
Nicolaides A, Radom L. A Simple Failing of G2 Theory: Heats of Combustion The Journal of Physical Chemistry. 98: 3092-3093. DOI: 10.1021/J100063A009 |
0.303 |
|
1994 |
Gauld JW, Radom L. A reappraisal of the structures and stabilities of prototype distonic radical cations and their conventional isomers The Journal of Physical Chemistry. 98: 777-784. DOI: 10.1021/J100054A012 |
0.419 |
|
1994 |
Smith BJ, Radom L. An evaluation of the performance of density functional theory, MP2, MP4, F4, G2(MP2) and G2 procedures in predicting gas-phase proton affinities Chemical Physics Letters. 231: 345-351. DOI: 10.1016/0009-2614(94)01273-3 |
0.369 |
|
1993 |
Zoller U, Riggs N, Nguyen MT, Radom L. Trithia[1.1.1]Propellane Phosphorus, Sulfur, and Silicon and the Related Elements. 74: 437-438. DOI: 10.1080/10426509308038152 |
0.31 |
|
1993 |
Coffey D, Smith BJ, Radom L. Theoretical and experimental structures of vinyl chloride and vinyl bromide The Journal of Chemical Physics. 98: 3952-3959. DOI: 10.1063/1.464022 |
0.335 |
|
1993 |
Smith BJ, Radom L. Assigning absolute values to proton affinities: a differentiation between competing scales Journal of the American Chemical Society. 115: 4885-4888. DOI: 10.1021/Ja00064A058 |
0.331 |
|
1993 |
Wong MW, Radom L. Thermochemistry and ion-molecule reactions of isomeric C3H2.bul.+ cations Journal of the American Chemical Society. 115: 1507-1514. DOI: 10.1021/Ja00057A042 |
0.393 |
|
1993 |
Rauk A, Tschuikow-Roux E, Chen Y, McGrath MP, Radom L. The possible role of chlorine trioxide isomers in relation to stratospheric ozone The Journal of Physical Chemistry. 97: 7947-7954. DOI: 10.1021/J100132A025 |
0.345 |
|
1993 |
McKee ML, Radom L. Structures and stabilities of C3H4O+˙ isomers: A G2 theoretical study Organic Mass Spectrometry. 28: 1238-1244. DOI: 10.1002/Oms.1210281040 |
0.407 |
|
1993 |
Wong MW, Pross A, Radom L. Addition of Methyl Radical to Substituted Alkenes: A Theoretical Study of the Reaction Mechanism Israel Journal of Chemistry. 33: 415-425. DOI: 10.1002/Ijch.199300048 |
0.37 |
|
1993 |
Pople JA, Scott AP, Wong MW, Radom L. Scaling Factors for Obtaining Fundamental Vibrational Frequencies and Zero-Point Energies from HF/6-31G* and MP2/6-31G* Harmonic Frequencies Israel Journal of Chemistry. 33: 345-350. DOI: 10.1002/Ijch.199300041 |
0.606 |
|
1992 |
Smith B, Pople J, Curtiss L, Radom L. The Heat of Formation of Formaldimine Australian Journal of Chemistry. 45: 285-288. DOI: 10.1071/Ch9920285 |
0.338 |
|
1992 |
Smith BJ, Coffey D, Radom L. Theoretical and experimental structures of vinyl fluoride and vinyl alcohol The Journal of Chemical Physics. 97: 6113-6120. DOI: 10.1063/1.463721 |
0.326 |
|
1992 |
Curtiss LA, Nobes RH, Pople JA, Radom L. Theoretical study of the organosulfur systems CSHn (n=0–4) and CSHn+ (n=0–5): Dissociation energies, ionization energies, and enthalpies of formationa) The Journal of Chemical Physics. 97: 6766-6773. DOI: 10.1063/1.463654 |
0.676 |
|
1992 |
Ischtwan J, Smith BJ, Collins MA, Radom L. Potential energy surfaces describing ion complexes containing molecular hydrogen The Journal of Chemical Physics. 97: 1191-1210. DOI: 10.1063/1.463246 |
0.368 |
|
1992 |
Ma NL, Radom L, Collins MA. Classical trajectory study of the decomposition of HCOH⋅+ on a symmetry‐invariant potential‐energy surface The Journal of Chemical Physics. 96: 1093-1104. DOI: 10.1063/1.462195 |
0.325 |
|
1992 |
Riggs NV, Zoller U, Nguyen MT, Radom L. Structure infrared and Raman spectra, and thermochemistry of trithia[1.1.1]propellane Journal of the American Chemical Society. 114: 4354-4356. DOI: 10.1021/Ja00037A048 |
0.364 |
|
1992 |
Jemmis ED, Subramanian G, Radom L. closo-Silaboranes and closo-carboranes: contrasting relative stabilities and breakdown of the rule of topological charge stabilization Journal of the American Chemical Society. 114: 1481-1483. DOI: 10.1021/Ja00030A053 |
0.475 |
|
1992 |
Smith BJ, Tho NM, Radom L. Ionized methyl formate (CH3OCHO.ovrhdot.+) and its distonic isomer (.ovrhdot.CH2OC+HOH) Journal of the American Chemical Society. 114: 1151-1156. DOI: 10.1021/Ja00030A004 |
0.335 |
|
1992 |
Ma NL, Smith BJ, Radom L. Refined thermochemistry for the methanol radical cation (CH3OH.cntdot.+) and its distonic isomer (CH2OH2.cntdot.+) The Journal of Physical Chemistry. 96: 5804-5807. DOI: 10.1021/J100193A029 |
0.434 |
|
1992 |
Radom L. The chemistry of gas-phase ions: a theoretical approach International Journal of Mass Spectrometry and Ion Processes. 339-368. DOI: 10.1016/0168-1176(92)85068-B |
0.357 |
|
1992 |
Jemmis ED, Wong MW, Bürgi H, Radom L. Helides of carbon and silicon: an ab initio study of their geometric and electronic structures Journal of Molecular Structure: Theochem. 261: 385-401. DOI: 10.1016/0166-1280(92)87088-H |
0.571 |
|
1992 |
Ma NL, Smith BJ, Radom L. Refined calculations of the structures and stabilities of the formyl (HCO+) and isoformyl (COH+) cations Chemical Physics Letters. 197: 573-580. DOI: 10.1016/0009-2614(92)85818-U |
0.407 |
|
1992 |
Ma NL, Smith BJ, Radom L. The energy difference between formaldehyde and hydroxymethylene radical cations failure of unrestricted (UMP2) and restricted (RMP2) Møller-Plesset procedures Chemical Physics Letters. 193: 386-394. DOI: 10.1016/0009-2614(92)85647-S |
0.4 |
|
1992 |
Nobes RH, Radom L. The thermochemistry of the mercaptomethyl (CH2SH+) and thiomethoxy (CH3S+) cations: a comparison of G2 theory and experiment Chemical Physics Letters. 189: 554-559. DOI: 10.1016/0009-2614(92)85249-A |
0.36 |
|
1992 |
Smith BJ, Smernik R, Radom L. The vinylidene-acetylene rearrangement. A phantom minimum on the MP2 potential energy surface Chemical Physics Letters. 188: 589-594. DOI: 10.1016/0009-2614(92)80871-8 |
0.379 |
|
1991 |
Marsden CJ, Smith BJ, Pople JA, Schaefer HF, Radom L. Characterization of the bifurcated structure of the water dimer The Journal of Chemical Physics. 95: 1825-1828. DOI: 10.1063/1.461030 |
0.607 |
|
1991 |
McGrath MP, Radom L. Extension of Gaussian‐1 (G1) theory to bromine‐containing molecules The Journal of Chemical Physics. 94: 511-516. DOI: 10.1063/1.460367 |
0.395 |
|
1991 |
Agranat I, Riggs NV, Radom L. The formamidine–formic acid dimer: a theoretical examination of its equilibrium structure and of the double-proton-transfer process Journal of the Chemical Society, Chemical Communications. 80-81. DOI: 10.1039/C39910000080 |
0.393 |
|
1991 |
Ma NL, Smith BJ, Pople JA, Radom L. Rearrangement and dissociative reactions of the methanol radical cation (CH3OH.bul.+): a comparison of theory and experiment Journal of the American Chemical Society. 113: 7903-7912. DOI: 10.1021/Ja00021A013 |
0.649 |
|
1991 |
Nobes RH, Moncrieff D, Wong MW, Radom L, Gill PM, Pople JA. The structure and stability of the O2+2 dication: a dramatic failure of Møller—Plesset perturbation theory Chemical Physics Letters. 182: 216-224. DOI: 10.1016/0009-2614(91)80204-B |
0.713 |
|
1991 |
Swanton DJ, Marsden DCJ, Radom L. Theoretical study of the structure and unimolecular decomposition pathways of ethyloxonium, [CH3CH2OH2]+ Organic Mass Spectrometry. 26: 227-234. DOI: 10.1002/Oms.1210260409 |
0.397 |
|
1990 |
Smith BJ, Swanton DJ, Pople JA, Schaefer HF, Radom L. Transition structures for the interchange of hydrogen atoms within the water dimer The Journal of Chemical Physics. 92: 1240-1247. DOI: 10.1063/1.458133 |
0.649 |
|
1990 |
Tureček F, McLafferty FW, Smith BJ, Radom L. Neutralization-reionization and ab initio study of the CH2CHSOH ⇄ CH3CHSO rearrangement International Journal of Mass Spectrometry and Ion Processes. 101: 283-300. DOI: 10.1016/0168-1176(90)87017-B |
0.412 |
|
1990 |
Smith BJ, Radom L. The heat of formation of the acetyl cation: a theoretical evaluation International Journal of Mass Spectrometry and Ion Processes. 101: 209-217. DOI: 10.1016/0168-1176(90)87012-6 |
0.36 |
|
1990 |
Wong MW, Radom L. Structure and stability of the tetrahydridoselenonium dication, SeH42+ Structural Chemistry. 1: 13-18. DOI: 10.1007/Bf00675779 |
0.424 |
|
1989 |
Wong MW, Nobes RH, Bouma WJ, Radom L. Isoelectronic analogs of molecular nitrogen: Tightly bound multiply charged species The Journal of Chemical Physics. 91: 2971-2979. DOI: 10.1063/1.456967 |
0.425 |
|
1989 |
Wong MW, Radom L. The HCNArF<sup>+</sup> cation: Prediction of a stable argon-nitrogen bonded species Journal of the Chemical Society, Chemical Communications. 719-721. DOI: 10.1039/C39890000719 |
0.352 |
|
1989 |
Gill PMW, Radom L. Structures and stabilities of the dimer dications of first- and second-row hydrides Journal of the American Chemical Society. 111: 4613-4622. DOI: 10.1021/Ja00195A014 |
0.402 |
|
1989 |
Gill PMW, Weatherall P, Radom L. The hemibonded dimer radical cation of thiirane Journal of the American Chemical Society. 111: 2782-2785. DOI: 10.1021/Ja00190A007 |
0.395 |
|
1989 |
Wong MW, Radom L. A theoretical study of the C3H42+ potential energy surface Journal of Molecular Structure. 198: 391-402. DOI: 10.1016/0022-2860(89)80051-1 |
0.384 |
|
1989 |
Hop CE, Holmes JL, Wong MW, Radom L. Neutralization-reionization of CH4+•: At which stage does fragmentation occur? Chemical Physics Letters. 159: 580-586. DOI: 10.1016/0009-2614(89)87536-0 |
0.38 |
|
1989 |
Wong MW, Radom L. Structures and stabilities of [C3H2]+ ˙ and [C3H2]2+ ions Organic Mass Spectrometry. 24: 539-545. DOI: 10.1002/Oms.1210240806 |
0.393 |
|
1988 |
Radom L, Gill PMW, Wong MW, Nobes RH. Multiply-charged cations: Remarkable structures and stabilities Pure and Applied Chemistry. 60: 183-188. DOI: 10.1351/Pac198860020183 |
0.359 |
|
1988 |
Riggs N, Radom L. Ab initio Studies on Hydrazines: 1H-Pyrrol-1-amine (N-Aminopyrrole) Australian Journal of Chemistry. 41: 397. DOI: 10.1071/Ch9880397 |
0.373 |
|
1988 |
Gill PMW, Pople JA, Radom L, Nobes RH. Why does unrestricted Mo/ller–Plesset perturbation theory converge so slowly for spin‐contaminated wave functions? The Journal of Chemical Physics. 89: 7307-7314. DOI: 10.1063/1.455312 |
0.592 |
|
1988 |
Gill PMW, Radom L. How does a dication lose a proton? Journal of the American Chemical Society. 110: 5311-5314. DOI: 10.1021/Ja00224A012 |
0.374 |
|
1988 |
Gill PMW, Radom L. Structures and stabilities of singly charged three-electron hemibonded systems and their hydrogen-bonded isomers Journal of the American Chemical Society. 110: 4931-4941. DOI: 10.1021/Ja00223A010 |
0.319 |
|
1988 |
Wong MW, Radom L. The vinyl dication (CH2CH{radical dot}2+: classical or bridged? International Journal of Mass Spectrometry and Ion Processes. 86: 319-327. DOI: 10.1016/0168-1176(88)80074-0 |
0.397 |
|
1988 |
Wong MW, Nobes RH, Radom L. The [HCS]+ and [H2CS]2+ potential energy surfaces: Predictions of bridged equilibrium structures Journal of Molecular Structure: Theochem. 163: 151-161. DOI: 10.1016/0166-1280(88)80387-7 |
0.387 |
|
1988 |
Gill PM, Radom L. The ACDCP model for estimating the kinetic energy release and transition structure bond length in the fragmentation of a diatomic dication Chemical Physics Letters. 147: 213-218. DOI: 10.1016/0009-2614(88)85086-3 |
0.582 |
|
1988 |
Gill PMW, Wong MW, Nobes RH, Radom L. How well can RMP4 theory treat homolytic fragmentations? Chemical Physics Letters. 148: 541-549. DOI: 10.1016/0009-2614(88)80328-2 |
0.371 |
|
1988 |
Radom L, Gill PMW, Wong MW. Simple models for describing the fragmentation behavior of multiply charged cations International Journal of Quantum Chemistry. 34: 567-573. DOI: 10.1002/Qua.560340861 |
0.341 |
|
1987 |
Wong MW, Nobes RH, Radom L. Remarkably stable trications and tetractions: The triheliomethyl trication (CHe3.3+) and tetraheliomethane tetraction (CHe 44+) Journal of the Chemical Society, Chemical Communications. 233-234. DOI: 10.1039/C39870000233 |
0.338 |
|
1987 |
Yates BF, Bouma WJ, MacLeod JK, Radom L. Spontaneous intramolecular hydrogen migration in ionized ethane-1,2-diol Journal of the Chemical Society, Chemical Communications. 204-205. DOI: 10.1039/C39870000204 |
0.368 |
|
1987 |
Li WK, Nobes RH, Radom L. Structures and rearrangement processes for the prototype alkyl, alkenyl and alkynyl anions: A theoretical study of the ethyl, ethenyl and ethynyl anions Journal of Molecular Structure: Theochem. 149: 67-79. DOI: 10.1016/0166-1280(87)80047-7 |
0.438 |
|
1987 |
Nobes RH, Bouma WJ, Macleod JK, Radom L. The ionization of ethylene oxide Chemical Physics Letters. 135: 78-83. DOI: 10.1016/0009-2614(87)87220-2 |
0.337 |
|
1987 |
Nobes RH, Pople JA, Radom L, Handy NC, Knowles PJ. Slow convergence of the møller-plesset perturbation series: the dissociation energy of hydrogen cyanide and the electron affinity of the cyano radical Chemical Physics Letters. 138: 481-485. DOI: 10.1016/0009-2614(87)80545-6 |
0.668 |
|
1987 |
Nobes RH, Wong MW, Radom L. The structure of the C2H2+4 dication Chemical Physics Letters. 136: 299-302. DOI: 10.1016/0009-2614(87)80255-5 |
0.358 |
|
1987 |
Gill PM, Radom L. A rationalization of unusually late transition structures for dication fragmentations Chemical Physics Letters. 136: 294-298. DOI: 10.1016/0009-2614(87)80254-3 |
0.583 |
|
1987 |
Riggs NV, Radom L. The 3-21G(N*) basis set: An economical polarized basis set for ab initio studies on nitrogen-containing molecules International Journal of Quantum Chemistry. 31: 393-403. DOI: 10.1002/Qua.560310310 |
0.338 |
|
1987 |
Yates BF, Radom L. Structures and relative energies of gas-phase [C2H7N]+˙ radical cations Organic Mass Spectrometry. 22: 430-436. DOI: 10.1002/Oms.1210220709 |
0.414 |
|
1986 |
Radom L, Nobes RH, Underwood DJ, Li W. Benzyne and related systems: an ab initio molecular orbital approach Pure and Applied Chemistry. 58: 75-88. DOI: 10.1351/Pac198658010075 |
0.384 |
|
1986 |
Murphy R, Schaefer HF, Nobes RH, Radom L, Pitzer RM. The equilibrium geometry of f* In its ground electronic state. A simple example of the effects of symmetry breaking on an observable molecular property International Reviews in Physical Chemistry. 5: 229-237. DOI: 10.1080/01442358609353387 |
0.355 |
|
1986 |
Yates BF, Bouma WJ, Radom L. Distonic radical cations Tetrahedron. 42: 6225-6234. DOI: 10.1016/S0040-4020(01)88084-4 |
0.375 |
|
1986 |
Gill PM, Radom L. Deceptive convergence in møller-plesset perturbation energies Chemical Physics Letters. 132: 16-22. DOI: 10.1016/0009-2614(86)80686-8 |
0.578 |
|
1986 |
Nobes RH, Radom L. Rationalization of scrambling processes among [C2H3O]+ ions Organic Mass Spectrometry. 21: 407-409. DOI: 10.1002/Oms.1210210705 |
0.365 |
|
1985 |
Li WK, Baker J, Radom L. Rearrangement of the Fulminate Anion (CNO-) to the Cyanate Anion (OCN-): Possible Intermediacy of the Oxazirinyl Anion Australian Journal of Chemistry. 39: 913-21. DOI: 10.1071/Ch9860913 |
0.418 |
|
1985 |
Riggs N, Radom L. Ab Initio Studies on Amides: Cyanamide, Dicyanamide and Tricyanamide Australian Journal of Chemistry. 38: 835. DOI: 10.1071/Ch9850835 |
0.368 |
|
1985 |
Baker J, Kingston EE, Bouma WJ, Brenton AG, Radom L. Is the methylenemethonium radical cation (ĊH2CH4) a stable species Journal of the Chemical Society, Chemical Communications. 1625-1627. DOI: 10.1039/C39850001625 |
0.351 |
|
1985 |
Riggs NV, Radom L. A planar hydrazine: bi(1,2,3-azadiboriridin-1-yl) Journal of the Chemical Society, Chemical Communications. 1193-1194. DOI: 10.1039/C39850001193 |
0.373 |
|
1985 |
Radom L, Baker J, Gill PM, Nobes RH, Riggs NV. A theoretical approach to molecular conformational analysis Journal of Molecular Structure. 126: 271-290. DOI: 10.1016/0022-2860(85)80120-4 |
0.586 |
|
1985 |
Yates BF, Nobes RH, Radom L. The methyleneammonium radical cation (CH2NH3+) Chemical Physics Letters. 116: 474-477. DOI: 10.1016/0009-2614(85)85197-6 |
0.417 |
|
1985 |
Rauk A, Bouma WJ, Radom L. Isomerization of cyclopropylidene to allene Journal of the American Chemical Society. 107: 3780-3786. DOI: 10.1002/Chin.198542099 |
0.316 |
|
1984 |
Radom L, Bouma WJ, Nobes RH, Yates BF. A theoretical approach to gas-phase ion chemistry Pure and Applied Chemistry. 56: 1831-1842. DOI: 10.1351/Pac198456121831 |
0.435 |
|
1984 |
Saebo S, Farnell L, Riggs NV, Radom L. Molecular structure, rotational constants, and vibrational frequencies for ethynamine (NH2-C.tplbond.CH): a possible interstellar molecule Journal of the American Chemical Society. 106: 5047-5051. DOI: 10.1021/Ja00330A001 |
0.381 |
|
1984 |
Farnell L, Radom L. Structure of butatrienone (CH2:C:C:C:O) Journal of the American Chemical Society. 106: 25-28. DOI: 10.1021/Ja00313A006 |
0.302 |
|
1984 |
Bouma WJ, Poppinger D, Saebø S, Macleod JK, Radom L. The nature of the C…C ring-opened form of the ethylene oxide radical cation Chemical Physics Letters. 104: 198-202. DOI: 10.1016/0009-2614(84)80195-5 |
0.377 |
|
1984 |
Bouma WJ, Gill PMW, Radom L. The potential energy surface for the [C2H2O]+˙ system: The ketene radical cation [CH2CO]+˙ and its isomers Organic Mass Spectrometry. 19: 610-616. DOI: 10.1002/Oms.1210191205 |
0.355 |
|
1984 |
Nobes RH, Radom L. Structures and relative energies of gas phase [C3H7O]+ ions Organic Mass Spectrometry. 19: 385-393. DOI: 10.1002/Oms.1210190807 |
0.412 |
|
1984 |
SAEBO S, FARNELL L, RIGGS NV, RADOM L. ChemInform Abstract: MOLECULAR STRUCTURE, ROTATIONAL CONSTANTS, AND VIBRATIONAL FREQUENCIES FOR ETHYNAMINE (NH2-CCH): A POSSIBLE INTERSTELLAR MOLECULE Chemischer Informationsdienst. 15. DOI: 10.1002/Chin.198451068 |
0.312 |
|
1984 |
Nobes RH, Bouma WJ, Radom L. Rearrangement and fragmentation processes in the methanethiol and dimethyl sulfide radical cations Journal of the American Chemical Society. 106: 2774-2781. DOI: 10.1002/Chin.198434110 |
0.309 |
|
1983 |
Saebo S, Radom L, Schaefer HF. The weakly exothermic rearrangement of methoxy radical (CH3O⋅) to the hydroxymethyl radical (CH2OH⋅) Journal of Chemical Physics. 78: 845-853. DOI: 10.1063/1.444785 |
0.419 |
|
1983 |
Bouma WJ, Radom L. Methyleneoxonium and hydroxymethylene dications: dicationic analogs of ethylene and acetylene Journal of the American Chemical Society. 105: 5484-5486. DOI: 10.1021/Ja00354A054 |
0.34 |
|
1983 |
Kim KS, Schaefer HF, Radom L, Pople JA, Binkley JS. Vibrational frequencies of the cyanocarbene (HCCN) molecule. A near degeneracy between bent cyanocarbene and linear allene-related geometries Journal of the American Chemical Society. 105: 4148-4154. DOI: 10.1021/Ja00351A004 |
0.635 |
|
1983 |
Bouma WJ, Nobes RH, Radom L. Unusual low-energy isomers of the ethanol and dimethyl ether radical cations Journal of the American Chemical Society. 105: 1743-1746. DOI: 10.1021/Ja00345A007 |
0.303 |
|
1983 |
Nobes RH, Bouma WJ, Radom L. Structures and stabilities of gas-phase C2H3O+ ions: an ab initio molecular orbital study Journal of the American Chemical Society. 105: 309-314. DOI: 10.1021/Ja00341A001 |
0.309 |
|
1983 |
Nobes RH, Radom L. A theoretical study of the condensation reactions of methyl cation with ammonia, water, hydrogen fluoride and hydrogen sulphide Chemical Physics. 74: 163-169. DOI: 10.1016/0301-0104(83)80019-6 |
0.418 |
|
1983 |
Bouma WJ, Poppinger D, Radom L. The structure of the cyclobutane radical cation Journal of Molecular Structure: Theochem. 103: 209-218. DOI: 10.1016/0166-1280(83)85021-0 |
0.406 |
|
1983 |
Saebo S, Radom L. The structure of aminopropenenitrile (CH2C(NH2)CN) Journal of Molecular Structure: Theochem. 105: 119-128. DOI: 10.1016/0166-1280(83)80038-4 |
0.388 |
|
1983 |
Bouma WJ, MacLeod JK, Nobes RH, Radom L. Unusual gas-phase isomers of simple organic radical cations International Journal of Mass Spectrometry and Ion Physics. 46: 235-238. DOI: 10.1016/0020-7381(83)80096-5 |
0.344 |
|
1983 |
Nobes RH, Radom L. The vinyloxonium cation (CH2CHOH2+) Chemical Physics Letters. 99: 107-111. DOI: 10.1016/0009-2614(83)80539-9 |
0.402 |
|
1983 |
Bouma WJ, Dawes JM, Radom L. The methylamine radical cation [CH3NH2]+˙ and its stable isomer the methylenammonium radical cation [CH2NH3]+˙ Journal of Mass Spectrometry. 18: 12-15. DOI: 10.1002/Oms.1210180104 |
0.446 |
|
1983 |
Bouma WJ, Poppinger D, Radom L. The Ionization of Alkanes Israel Journal of Chemistry. 23: 21-36. DOI: 10.1002/Ijch.198300004 |
0.414 |
|
1983 |
Bouma WJ, Poppinger D, Radom L. Structure of the Cyclobutane Radical Cation Cheminform. 14. DOI: 10.1002/Chin.198344071 |
0.333 |
|
1983 |
KIM KS, SCHAEFER HFI, RADOM L, POPLE JA, BINKLEY JS. ChemInform Abstract: VIBRATIONAL FREQUENCIES OF THE CYANOCARBENE (HCCN) MOLECULE. A NEAR DEGENERACY BETWEEN BENT CYANOCARBENE AND LINEAR ALLENE-RELATED GEOMETRIES Chemischer Informationsdienst. 14. DOI: 10.1002/chin.198340067 |
0.55 |
|
1983 |
Saebo S, Radom L, Schaefer HFI. The Weakly Exothermic Rearrangement Of Methoxy Radical (Ch3O) To The Hydroxymethyl Radical (Ch2Oh) Cheminform. 14. DOI: 10.1002/Chin.198317113 |
0.33 |
|
1982 |
Bouma WJ, Nobes RH, Radom L, Woodward C. Existence of stable structural isomers of ketene. A theoretical study of the C2H2O potential energy surface The Journal of Organic Chemistry. 47: 1869-1875. DOI: 10.1021/Jo00349A010 |
0.313 |
|
1982 |
Bouma WJ, MacLeod JK, Radom L. Experimental evidence for the existence of a stable isomer of CH3OH+.cntdot.: the methylenoxonium radical cation, CH2OH2+.cntdot. Journal of the American Chemical Society. 104: 2930-2931. DOI: 10.1021/Ja00374A043 |
0.368 |
|
1982 |
Bouma WJ, Nobes RH, Radom L. Methylenoxonium radical cation (CH2OH2+.bul.): a surprisingly stable isomer of the methanol radical cation Journal of the American Chemical Society. 104: 2929-2930. DOI: 10.1021/Ja00374A042 |
0.346 |
|
1982 |
Farnell L, Nobes RH, Radom L. A theoretical consideration of the quasi-bent nature of the HCNO molecule Journal of Molecular Spectroscopy. 93: 271-280. DOI: 10.1016/0022-2852(82)90167-9 |
0.384 |
|
1982 |
Bouma WJ, Yates BF, Radom L. On the structures and relative energies of CH3F⨥ isomers Chemical Physics Letters. 92: 620-625. DOI: 10.1016/0009-2614(82)83661-0 |
0.389 |
|
1982 |
Farnell L, Radom L. The structure of propadienone (CH2CCO) Chemical Physics Letters. 91: 373-377. DOI: 10.1016/0009-2614(82)83303-4 |
0.421 |
|
1982 |
Nobes RH, Bouma WJ, Radom L. The additivity of polarization function and electron correlation effects in ab initio molecular-orbital calculations Chemical Physics Letters. 89: 497-500. DOI: 10.1016/0009-2614(82)83053-4 |
0.365 |
|
1982 |
Nobes RH, Radom L. The structure and dissociation pathways of protonated methanol: Anab initio molecular orbital study Organic Mass Spectrometry. 17: 340-344. DOI: 10.1002/Oms.1210170711 |
0.446 |
|
1982 |
Bouma WJ, Nobes RH, Radom L. On the nature of the ‘methoxy’ cation Organic Mass Spectrometry. 17: 315-317. DOI: 10.1002/Oms.1210170705 |
0.402 |
|
1982 |
Nobes RH, Rodwell WR, Radom L. The 6-31G++ basis set: An economical basis set for correlated wavefunctions Journal of Computational Chemistry. 3: 561-564. DOI: 10.1002/Jcc.540030414 |
0.336 |
|
1981 |
Komornicki A, Dykstra CE, Vincent MA, Radom L. A theoretical study of propadienone and its isomers propynal and cyclopropenone Journal of the American Chemical Society. 103: 1652-1656. DOI: 10.1021/Ja00397A009 |
0.426 |
|
1981 |
Nobes RH, Radom L. HOC+: An observable interstellar species? A comparison with the isomeric and isoelectronic HCO+, HCN and HNC Chemical Physics. 60: 1-10. DOI: 10.1016/0301-0104(81)80102-4 |
0.357 |
|
1981 |
Farnell L, Radom L, Vincent MA. The geometric and electronic structures of oxocarbons. An ab initio molecular orbital study Journal of Molecular Structure: Theochem. 76: 1-10. DOI: 10.1016/0166-1280(81)85108-1 |
0.352 |
|
1981 |
Nobes RH, Radom L, Allinger NL. Equilibrium conformations of higher-energy rotational isomers of vinyl alcohol and methyl vinyl ether Journal of Molecular Structure: Theochem. 85: 185-194. DOI: 10.1016/0166-1280(81)85061-0 |
0.377 |
|
1981 |
Kemister G, Pross A, Radom L, Taft RW. A theoretical approach to substituent effects. A comparison of the isoelectronic BH3?, CH3, and NH3+ groups and their interaction with substituents in disubstituted benzenes Journal of Computational Chemistry. 2: 470-477. DOI: 10.1002/Jcc.540020415 |
0.306 |
|
1980 |
Rodwell WR, Radom L. The Hartree–Fock geometry of ammonia The Journal of Chemical Physics. 72: 2205-2206. DOI: 10.1063/1.439323 |
0.364 |
|
1980 |
Adeney PD, Bouma WJ, Radom L, Rodwell WR. Nitrosomethane and its nitrone and oxime isomers. A theoretical study of 1,2- and 1,3-intramolecular hydrogen shifts Journal of the American Chemical Society. 102: 4069-4074. DOI: 10.1021/Ja00532A015 |
0.327 |
|
1980 |
Birch AJ, Hinde AL, Radom L. A theoretical approach to the Birch reduction. Structures and stabilities of the radical anions of substituted benzenes Journal of the American Chemical Society. 102: 3370-3376. DOI: 10.1021/Ja00530A012 |
0.351 |
|
1980 |
Pross A, Radom L, Riggs NV. A theoretical approach to substituent effects. Structural consequences of methyl hyperconjugation. Methyl tilt angles and carbon-hydrogen bond lengths Journal of the American Chemical Society. 102: 2253-2259. DOI: 10.1021/Ja00527A019 |
0.304 |
|
1980 |
Bouma WJ, MacLeod JK, Radom L. Structures and stabilities of C3H6O+. isomers. An ab initio molecular orbital study Journal of the American Chemical Society. 102: 2246-2252. DOI: 10.1021/Ja00527A018 |
0.373 |
|
1980 |
Birch AJ, Hinde AL, Radom L. A theoretical approach to the Birch reduction. Structures and stabilities of cyclohexadienyl radicals Journal of the American Chemical Society. 102: 4074-4080. DOI: 10.1021/Ja00392A006 |
0.323 |
|
1980 |
Pross A, Radom L. A theoretical approach to substituent effects Tetrahedron. 36: 673-676. DOI: 10.1016/0040-4020(80)88013-6 |
0.369 |
|
1980 |
Pross A, Radom L. A theoretical approach to substituent effects Tetrahedron. 36: 1999-2003. DOI: 10.1016/0040-4020(80)80213-4 |
0.381 |
|
1980 |
Bouma WJ, Macleod JK, Radom L. An ab initio molecular orbital study of the CH2O+− isomers: The stability of the hydroxymethylene radical cation International Journal of Mass Spectrometry and Ion Physics. 33: 87-93. DOI: 10.1016/0020-7381(80)80038-6 |
0.43 |
|
1980 |
Nobes RH, Radom L, Rodwell WR. Influence of basis set and electron correlation on calculated barriers to 1,2-hydrogen shifts. The oxoniomethylene cation: A new CH3O+ isomer? Chemical Physics Letters. 74: 269-272. DOI: 10.1016/0009-2614(80)85155-4 |
0.457 |
|
1980 |
Rodwell WR, Bouma WJ, Radom L. Ab initio studies of 1,3-sigmatropic rearrangements: Effect of basis set and electron correlation International Journal of Quantum Chemistry. 18: 107-116. DOI: 10.1002/Qua.560180117 |
0.319 |
|
1980 |
Pross A, Radom L. A theoretical approach to substituent effects. Structural consequences of electrostatic and orbital interactions in model mono- and disubstituted methanes Journal of Computational Chemistry. 1: 295-300. DOI: 10.1002/Jcc.540010313 |
0.301 |
|
1980 |
Hinde AL, Pross A, Radom L. A theoretical approach to substituent effects. Interactions between directly bonded groups in the neutrals X?NH2, X?OH, and X?F and the anions X?NH? and X?O? Journal of Computational Chemistry. 1: 118-128. DOI: 10.1002/Jcc.540010203 |
0.406 |
|
1980 |
Radom L, Vincent MA. Intramolecular Interactions Through Triple Bonds. Internal Rotation in Aminoborylpolyynes, NH2(C≡C)n BH2 Israel Journal of Chemistry. 19: 305-308. DOI: 10.1002/Ijch.198000037 |
0.318 |
|
1980 |
Bouma WJ, Radom L, Rodwell WR. Structures and thermodynamic stabilities of the C2H4O isomers: Acetaldehyde, vinyl alcohol and ethylene oxide Theoretica Chimica Acta. 56: 149-155. DOI: 10.1002/Chin.198044074 |
0.363 |
|
1979 |
Ballard M, Bouma W, Radom L, Vincent M. Creation of a Simple Stable Enol. The Stabilizing Properties of the Diazonium Substituent Australian Journal of Chemistry. 32: 1401. DOI: 10.1071/Ch9791401 |
0.406 |
|
1979 |
Bouma WJ, MacLeod JK, Radom L. An ab initio molecular orbital study of the structures and stabilities of the C2H4O+.cntdot. isomers Journal of the American Chemical Society. 101: 5540-5545. DOI: 10.1021/Ja00513A015 |
0.373 |
|
1979 |
Bouma WJ, Radom L. Nitrosoacetaldehyde and its enol and oxime isomers. A theoretical investigation of an asymmetric 1,5-sigmatropic hydrogen shift Journal of the American Chemical Society. 101: 3487-3490. DOI: 10.1021/Ja00507A010 |
0.315 |
|
1979 |
Kao J, Radom L. Conformations, stabilities, and charge distributions in 2- and 3-monosubstituted thiophenes. An ab initio molecular orbital study Journal of the American Chemical Society. 101: 311-318. DOI: 10.1021/Ja00481A001 |
0.31 |
|
1979 |
Bouma WJ, Radom L. Is the carboxylic acid-fluoride bond really the strongest type of hydrogen bond? Chemical Physics Letters. 64: 216-218. DOI: 10.1016/0009-2614(79)80499-6 |
0.346 |
|
1978 |
Gowenlock B, Radom L. Nitrosyl cyanide and related aspects of the ONCN potential surface Australian Journal of Chemistry. 31: 2349-2353. DOI: 10.1071/Ch9782349 |
0.376 |
|
1978 |
Bouma W, Radom L. An ab initio approach to creating a simple stable enol Australian Journal of Chemistry. 31: 1649. DOI: 10.1071/Ch9781649 |
0.409 |
|
1978 |
Bouma W, Radom L. Keto-enol tautomerism. Relative stabilization of enol isomers Australian Journal of Chemistry. 31: 1167-1176. DOI: 10.1071/Ch9781167 |
0.412 |
|
1978 |
Craig D, Radom L, Schaefer IH. Multiply charged aromatic cations : The heptalenium dication Australian Journal of Chemistry. 31: 261. DOI: 10.1071/Ch9780261 |
0.368 |
|
1978 |
Hinde AL, Poppinger D, Radom L. Ab initio study of the benzene radical anion Journal of the American Chemical Society. 100: 4681-4685. DOI: 10.1021/Ja00483A010 |
0.385 |
|
1978 |
Poppinger D, Radom L. A theoretical study of substituted CHNO isomers Journal of the American Chemical Society. 100: 3674-3685. DOI: 10.1021/Ja00480A004 |
0.352 |
|
1978 |
Kao J, Radom L. An ab initio molecular orbital study of structures and energies of spiro compounds: spiropentane, spiropentene, spiropentadiene, spiro[2.4]hepta-4,6-diene, spiro[2.4]heptatriene, and spiro[4.4]nonatetraene Journal of the American Chemical Society. 100: 760-767. DOI: 10.1021/Ja00471A017 |
0.355 |
|
1978 |
Rodwell WR, Carlsen NR, Radom L. Theoretical studies of the effect of electron correlation on the geometry and barriers to internal rotation in hydrogen peroxide Chemical Physics. 31: 177-186. DOI: 10.1016/0301-0104(78)87034-7 |
0.376 |
|
1978 |
Kao J, Radom L. An ab initio molecular orbital study of structures and energies of spirocompounds: spiro[3.3]heptane and spiro[3.3]hepta-1,5-diene Tetrahedron. 34: 2515-2521. DOI: 10.1016/0040-4020(78)88380-X |
0.412 |
|
1978 |
Radom L, Stiles PJ, Vincent MA. Pronounced conformational preferences in 1,4-disubstituted but-2-ynes Journal of Molecular Structure. 48: 259-270. DOI: 10.1016/0022-2860(78)80029-5 |
0.341 |
|
1978 |
Bouma WJ, Vincent MA, Radom L. Ab initio molecular orbital studies of sigmatropic rearrangements International Journal of Quantum Chemistry. 14: 767-777. DOI: 10.1002/Qua.560140609 |
0.417 |
|
1978 |
Radom L, Stiles PJ, Vincent MA. Influence of substituent electronegativities on conformational preferences in 1,2-disubstituted ethanes Journal of Molecular Structure. 48: 431-440. DOI: 10.1002/Chin.197844066 |
0.35 |
|
1977 |
Radom L, Binkley J, Pople J. The molecular structure of ammonia oxide (NH3O). An ab initio study Australian Journal of Chemistry. 30: 699. DOI: 10.1071/Ch9770699 |
0.649 |
|
1977 |
Gregory A, Paddon-Row M, Radom L, Stohrer W. Bond-stretch isomerism in [2,2,2]propellanes Australian Journal of Chemistry. 30: 473. DOI: 10.1071/Ch9770473 |
0.423 |
|
1977 |
John IG, Ritchie GLD, Radom L. Conformations of furan-, pyrrole-, and pyridine-carbaldehydes: an ab initio molecular orbital study Journal of the Chemical Society-Perkin Transactions 1. 9: 1601-1607. DOI: 10.1039/P29770001601 |
0.417 |
|
1977 |
Poppinger D, Radom L, Pople JA. A theoretical study of the CHNO isomers Journal of the American Chemical Society. 99: 7806-7816. DOI: 10.1021/Ja00466A010 |
0.351 |
|
1977 |
John I, Radom L. Molecular conformations of methyl formate and methyl vinyl ether from ab initio molecular orbital calculations Journal of Molecular Structure. 36: 133-147. DOI: 10.1016/0022-2860(77)85014-X |
0.358 |
|
1977 |
John IG, Radom L. Molecular conformations of formic anhydride and divinyl ether an ab initio molecular orbital study Journal of Molecular Structure. 39: 281-293. DOI: 10.1002/Chin.197740061 |
0.352 |
|
1977 |
Gregory AR, Paddon-Row MN, Radom L, Stohrer W-. Bond-Stretch Isomerism In (2,2,2)Propellanes Cheminform. 8. DOI: 10.1002/Chin.197727074 |
0.308 |
|
1976 |
Aroney M, Bruce E, John I, Radom L, Ritchie G. Conformations of Vinyl Formate and Vinyl Acetate Australian Journal of Chemistry. 29: 581-587. DOI: 10.1071/Ch9760581 |
0.37 |
|
1976 |
Paddon-Row MN, Radom L, Gregory AR. 1-Aza-4-boratricyclo[2.2.2.01,4]octane and 1-aza-4-borabicyclo[2.2.2]octane: stable bond-stretch isomers? an ab initio study Journal of the Chemical Society, Chemical Communications. 427-429. DOI: 10.1039/C39760000427 |
0.404 |
|
1976 |
Hehre WJ, Pople JA, Lathan WA, Radom L, Wasserman E, Wasserman ZR. Molecular orbital theory of the electronic structure of organic compounds. 28. Geometries and energies of singlet and triplet states of the C3H2 hydrocarbons Journal of the American Chemical Society. 98: 4378-4383. DOI: 10.1021/Ja00431A005 |
0.653 |
|
1976 |
Collins JB, Schleyer PvR, Binkley JS, Pople JA, Radom L. Molecular orbital theory of the electronic structure of molecules. 29. The interaction of molecular hydrogen with simple Lewis acids Journal of the American Chemical Society. 98: 3436-3441. DOI: 10.1021/Ja00428A007 |
0.642 |
|
1976 |
Radom L, Hariharan PC, Pople JA, Schleyer PvR. Molecular orbital theory of the electronic structure of organic compounds. XXII. Structures and stabilities of C3H3+ and C3H+ cations Journal of the American Chemical Society. 98: 10-14. DOI: 10.1021/Ja00417A003 |
0.637 |
|
1975 |
Craig DP, Radom L, Stiles PJ. Intramolecular Chiral Discrimination Between Meso and d, l Isomers Proceedings of the Royal Society a: Mathematical, Physical and Engineering Sciences. 343: 11-16. DOI: 10.1098/Rspa.1975.0049 |
0.356 |
|
1975 |
Craig DP, Radom L, Stiles PJ. A pairwise additirvity scheme for conformational energies of substituted ethanes Proceedings of the Royal Society a: Mathematical, Physical and Engineering Sciences. 343: 1-10. DOI: 10.1098/Rspa.1975.0048 |
0.362 |
|
1975 |
Radom L, Schaefer IH. Theoretical predictions of the molecular structure of sulphur tetrafluoride Australian Journal of Chemistry. 28: 2069. DOI: 10.1071/Ch9752069 |
0.39 |
|
1975 |
Radom L. Effects of alkyl groups on acidities and basicities in the gas phase. An ab initio molecular orbital study Australian Journal of Chemistry. 28: 1. DOI: 10.1002/Chin.197517092 |
0.337 |
|
1974 |
Radom L, Paviot J, Pople JA, Schleyer PvR. Rotational barriers in substituted ethyl radicals Journal of the Chemical Society, Chemical Communications. DOI: 10.1039/C3974000058B |
0.427 |
|
1974 |
Radom L. Ab initio molecular orbital calculations on anions. Determination of gas phase acidities Journal of the Chemical Society, Chemical Communications. 403-404. DOI: 10.1039/C39740000403 |
0.336 |
|
1974 |
Radom L, Stiles PJ. An additivity scheme for conformational energies in substituted ethanes Journal of the Chemical Society, Chemical Communications. 190-192. DOI: 10.1039/C39740000190 |
0.367 |
|
1974 |
Hariharan PC, Radom L, Pople JA, Schleyer PVR. Molecular orbital theory of the electronic structure of organic compounds. XX. Protonated cyclopropane cations with a polarized basis set Journal of the American Chemical Society. 96: 599-601. DOI: 10.1021/Ja00809A055 |
0.645 |
|
1974 |
Jeffrey GA, Pople JA, Radom L. The application of ab initio molecular orbital theory to structural moieties of carbohydrates Carbohydrate Research. 38: 81-95. DOI: 10.1016/S0008-6215(00)82340-X |
0.432 |
|
1974 |
HARIHARAN PC, RADOM L, POPLE JA, SCHLEYER PVR. ChemInform Abstract: MOLECULAR ORBITAL THEORY OF THE ELECTRONIC STRUCTURE OF ORGANIC COMPOUNDS PART 20, C3H7(+) CATIONS WITH A POLARIZED BASIS SET Chemischer Informationsdienst. 5. DOI: 10.1002/Chin.197414112 |
0.652 |
|
1973 |
Golding BT, Radom L. Facilitation of intramolecular 1,2-shifts in radicals by protonation, and the mechanism of reactions catalysed by 5′-deoxyadenosylcobalamin Journal of the Chemical Society, Chemical Communications. 939-941. DOI: 10.1039/C39730000939 |
0.399 |
|
1973 |
Radom L, Hariharan PC, Pople JA, Schleyer PVR. Molecular orbital theory of the electronic structure of organic compounds. XIX. Geometries and energies of C3H5 cations. Energy relations among allyl, vinyl, and cyclopropyl cations Journal of the American Chemical Society. 95: 6531-6544. DOI: 10.1021/Ja00801A003 |
0.66 |
|
1973 |
Lathan WA, Radom L, Hehre WJ, Pople JA. Molecular orbital theory of the electronic structure of organic compounds. XVIII. Conformations and stabilities of trisubstituted methanes Journal of the American Chemical Society. 95: 699-703. DOI: 10.1021/Ja00784A009 |
0.36 |
|
1973 |
Radom L, Lathan WA, Hehre WJ, Pople JA. Molecular orbital theory of the electronic structure of organic compounds. XVII. Internal rotation in 1,2-disubstituted ethanes Journal of the American Chemical Society. 95: 693-698. DOI: 10.1021/Ja00784A008 |
0.63 |
|
1973 |
Lathan WA, Radom L, Hariharan PC, Hehre WJ, Pople JA. Structures and stabilities of three-membered rings from ab initio molecular orbital theory Cheminform. 4: 1-45. DOI: 10.1007/3-540-06265-3_14 |
0.384 |
|
1973 |
RADOM L, LATHAN WA, HEHRE WJ, POPLE JA. ChemInform Abstract: MO-THEORIE DER ELEKTRONENSTRUKTUR ORGANISCHER VERBINDUNGEN 17. MITT. INNERE ROTATION IN 1,2-DISUBSTITUIERTEN AETHANEN 18. MITT. KONFORM. UND STABILITAETEN TRISUBSTITUIERTER METHANE Chemischer Informationsdienst. 4. DOI: 10.1002/Chin.197316077 |
0.62 |
|
1972 |
Radom L, Lathan W, Hehre W, Pople J. Internal rotation in some organic molecules containing methyl, amino, hydroxyl, and formyl groups Australian Journal of Chemistry. 25: 1601. DOI: 10.1071/Ch9721601 |
0.716 |
|
1972 |
Hehre WJ, Radom L, Pople JA. Inversion barriers in para-substituted anilines from ab initio molecular orbital theory Journal of the Chemical Society, Chemical Communications. 669-670. DOI: 10.1039/C39720000669 |
0.751 |
|
1972 |
Radom L, Hehre WJ, Pople JA, Carlson GL, Fateley WG. Torsional barriers in para-substituted phenols from ab initio molecular orbital theory and far infrared spectroscopy Journal of the Chemical Society, Chemical Communications. 308-309. DOI: 10.1039/C39720000308 |
0.753 |
|
1972 |
Radom L, Pople JA, Schleyer PvR. Molecular orbital theory of the electronic structure of organic compounds. XVI. Conformations and stabilities of substituted ethyl, propyl, and butyl cations Journal of the American Chemical Society. 94: 5935-5945. DOI: 10.1021/Ja00772A001 |
0.375 |
|
1972 |
Radom L, Hehre WJ, Pople JA. Molecular orbital theory of the electronic structure of organic compounds. XIII. Fourier component analysis of internal rotation potential functions in saturated molecules Journal of the American Chemical Society. 94: 2371-2381. DOI: 10.1021/Ja00762A030 |
0.347 |
|
1972 |
Hehre WJ, Radom L, Pople JA. Molecular orbital theory of the electronic structure of organic compounds. XII. Conformations, stabilities, and charge distributions in monosubstituted benzenes Journal of the American Chemical Society. 94: 1496-1504. DOI: 10.1021/Ja00760A011 |
0.34 |
|
1972 |
Radom L, Pople JA, Buss V, Schleyer PvR. Molecular orbital theory of the electronic structure of organic compounds. XI. Geometries and energies of C3H7+cations Journal of the American Chemical Society. 94: 311-321. DOI: 10.1021/Ja00757A001 |
0.657 |
|
1972 |
Radom L, Pople JA, Mock WL. Distortion of the double bond in ethylene Tetrahedron Letters. 13: 479-482. DOI: 10.1016/S0040-4039(01)84355-0 |
0.607 |
|
1972 |
Jeffrey GA, Pople JA, Radom L. The application of ab initio molecular orbital theory to the anomeric effect. A comparison of theoretical predictions and experimental data on conformations and bond lengths in some pyranoses and methyl pyranosides Carbohydrate Research. 25: 117-131. DOI: 10.1016/S0008-6215(00)82752-4 |
0.664 |
|
1972 |
HOFFMAN R, RADOM L, POPLE JA, R. SCHLEYER PV, HEHRE WJ, SALEM L. ChemInform Abstract: STARKER EINFLUSS DER HYPERKONJUGATION AUF DIE KONFORM. Chemischer Informationsdienst. 3: no-no. DOI: 10.1002/Chin.197245095 |
0.574 |
|
1972 |
RADOM L, POPLE JA, R. SCHLEYER PV. ChemInform Abstract: MO-THEORIE DER ELEKTRONENSTRUKTUR ORGANISCHER VERBINDUNGEN 16. MITT. KONFORM. UND STABILITAETEN SUBSTITUIERTER AETHYL-, PROPYL- UND BUTYLKATIONEN Chemischer Informationsdienst. 3. DOI: 10.1002/Chin.197245091 |
0.614 |
|
1972 |
RADOM L, HEHRE WJ, POPLE JA. ChemInform Abstract: MO-THEORIE DER ELEKTRONENSTRUKTUR VON ORGANISCHEN VERBINDUNGEN 13. MITT. FOURIER-KOMPONENTEN-ANALYSE VON POTENTIALFUNKTIONEN DER INNEREN ROTATION IN GESAETTIGTEN MOLEKUELEN Chemischer Informationsdienst. 3: no-no. DOI: 10.1002/Chin.197226088 |
0.615 |
|
1972 |
HEHRE WJ, RADOM L, POPLE JA. ChemInform Abstract: MO-THEORIE DER ELEKTRONENSTRUKTUR VON ORGANISCHEN VERBINDUNGEN 12. MITT. KONFORM., STABILITAETEN UND LADUNGSVERTEILUNGEN VON 35 MONOSUBSTITUIERTEN BENZOLEN Chemischer Informationsdienst. 3: no-no. DOI: 10.1002/Chin.197221096 |
0.611 |
|
1972 |
RADOM L, POPLE JA, BUSS V, R. SCHLEYER PV. ChemInform Abstract: MO-THEORIE DER ELEKTRONENSTRUKTUR ORGANISCHER VERBINDUNGEN 11. MITT. GEOMETRIEN UND ENERGIEN VON C3H7(+)-KATIONEN Chemischer Informationsdienst. 3. DOI: 10.1002/Chin.197214084 |
0.621 |
|
1971 |
Hopkins PA, Fèvre RJWL, Radom L, Ritchie GLD. Molecular polarisability. Association of some aromatic aldehydes and ketones with benzene Journal of the Chemical Society B: Physical Organic. 574-576. DOI: 10.1039/J29710000574 |
0.309 |
|
1971 |
Radom L, Hehre WJ, Pople JA. Conformations and heats of formation of organic molecules by use of a minimal slater type basis Journal of the Chemical Society a: Inorganic, Physical, and Theoretical Chemistry. 2299-2303. DOI: 10.1039/J19710002299 |
0.75 |
|
1971 |
Radom L, Lathan WA, Hehre WJ, Pople JA. Molecular orbital theory of the electronic structure of organic compounds. VIII. Geometries, energies, and polarities of C3 hydrocarbons Journal of the American Chemical Society. 93: 5339-5342. DOI: 10.1021/ja00750a005 |
0.608 |
|
1971 |
Pople JA, Radom L, Buss V, Schleyer PvR. Structures and relative stabilities of C3H7+ cations Journal of the American Chemical Society. 93: 1813-1815. DOI: 10.1021/Ja00736A059 |
0.608 |
|
1971 |
Pople JA, Radom L, Hehre WJ. Molecular orbital theory of the electronic structure of organic compounds. VII. Systematic study of energies, conformations, and bond interactions Journal of the American Chemical Society. 93: 289-300. DOI: 10.1021/Ja00731A001 |
0.656 |
|
1971 |
RADOM L, LATHAN WA, HEHRE WJ, POPLE JA. ChemInform Abstract: MO-THEORIE DER ELEKTRONENSTRUKTUR ORGANISCHER VERBINDUNGEN 8. MITT. GEOMETRIEN, ENERGIEN UND POLARITAETEN VON C3-KOHLENWASSERSTOFFEN Chemischer Informationsdienst. Organische Chemie. 2: no-no. DOI: 10.1002/Chin.197152106 |
0.605 |
|
1971 |
RADOM L, HEHRE WJ, POPLE JA. ChemInform Abstract: BESTIMMUNG DER KONFORMATIONEN UND BLDG.-WAERMEN ORGANISCHER MOLEKUELE DURCH VERWENDUNG EINER MINIMAL-BASIS VOM SLATER-TYP Chemischer Informationsdienst. Organische Chemie. 2: no-no. DOI: 10.1002/Chin.197146091 |
0.602 |
|
1971 |
RADOM L, POPLE JA, BUSS V, R. SCHLEYER PV. ChemInform Abstract: STRUKTUREN UND RELATIVE STABILITAETEN VON C3H7(+)-KATIONEN Chemischer Informationsdienst. Organische Chemie. 2: no-no. DOI: 10.1002/Chin.197126081 |
0.595 |
|
1971 |
RADOM L, HEHRE WJ, POPLE JA. ChemInform Abstract: MO-THEORIE DER ELEKTRONENSTRUKTUR ORGANISCHER VERBINDUNGEN 7. MITT. SYSTEMATISCHE UNTERSUCHUNG VON ENERGIEN, KONFORMATIONEN UND BINDUNGSWECHSELWIRKUNGEN Chemischer Informationsdienst. Organische Chemie. 2: no-no. DOI: 10.1002/Chin.197114124 |
0.612 |
|
1971 |
Radom L, Pople JA, Buss V, Schleyer PVR. Rotationsbarrieren In Propyl-(1)-Kationen Cheminform. 2. DOI: 10.1002/Chin.197106092 |
0.581 |
|
1971 |
RADOM L, POPLE JA, BUSS V, R. SCHLEYER PV. ChemInform Abstract: ROTATIONSBARRIEREN DER ALKYLKATIONEN (I) UND (II) (AB INITIO-BERECHNUNG MIT STO-3G-BASISSAETZEN) Chemischer Informationsdienst. Organische Chemie. 2: no-no. DOI: 10.1002/Chin.197101154 |
0.598 |
|
1970 |
Pople JA, Radom L, Buss V, Schleyer PVR. Rotational barriers of alkyl cations Journal of the American Chemical Society. 92: 6380-6382. DOI: 10.1021/Ja00724A070 |
0.303 |
|
1970 |
Hehre WJ, Ditchfield R, Radom L, Pople JA. Molecular orbital theory of the electronic structure of organic compounds. V. Molecular theory of bond separation Journal of the American Chemical Society. 92: 4796-4801. DOI: 10.1021/Ja00719A006 |
0.664 |
|
1970 |
Radom L, Pople JA. Molecular orbital theory of the electronic structure of organic compounds. IV. Internal rotation in hydrocarbons using a minimal Slater-type basis Journal of the American Chemical Society. 92: 4786-4795. DOI: 10.1021/Ja00719A005 |
0.631 |
|
1970 |
Ditchfield R, Hehre WJ, Pople JA, Radom L. Molecular orbital theory of bond separation Chemical Physics Letters. 5: 13-14. DOI: 10.1016/0009-2614(70)80116-6 |
0.812 |
|
1970 |
RADOM L, POPLE JA, HEHRE WJ, DITCHFIELD R. ChemInform Abstract: MO-THEORIE DER ELEKTRONENSTRUKTUR ORGANISCHER VERBINDUNGEN 4. MITT. INNERE ROTATION IN KOHLENWASSERSTOFFEN MITTELS EINER MINIMAL-BASIS VOM SLATER-TYP 5. MITT. MO-THEORIE DER BINDUNGSTRENNUNG Chemischer Informationsdienst. Organische Chemie. 1: no-no. DOI: 10.1002/Chin.197044100 |
0.739 |
|
1967 |
Le Fèvre RJW, Radom L. Molecular polarisability. Carbon-carbon bond polarisabilities in relation to bond lengths Journal of the Chemical Society B: Physical Organic. 1295-1298. DOI: 10.1039/J29670001295 |
0.322 |
|
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