| Year |
Citation |
Score |
| 2021 |
Clavaguéra C, Thaunay F, Ohanessian G. Manifolds of low energy structures for a magic number of hydrated sulfate: SO(HO). Physical Chemistry Chemical Physics : Pccp. 23: 24428-24438. PMID 34693943 DOI: 10.1039/d1cp03123f |
0.666 |
|
| 2019 |
Thaunay F, Calvo F, Nicol E, Ohanessian G, Clavaguera C. Infrared Spectra of Deprotonated Dicarboxylic Acids: IRMPD Spectroscopy and Empirical Valence Bond Modeling. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 30695125 DOI: 10.1002/Cphc.201800947 |
0.711 |
|
| 2019 |
Nicol E, Clavaguéra C, Ohanessian G. Vibrational spectroscopy of deprotonated peptides containing an acidic side chain International Journal of Mass Spectrometry. 435: 42-50. DOI: 10.1016/J.Ijms.2018.10.006 |
0.713 |
|
| 2019 |
Thaunay F, Calvo F, Nicol E, Ohanessian G, Clavaguéra C. Cover Feature: Infrared Spectra of Deprotonated Dicarboxylic Acids: IRMPD Spectroscopy and Empirical Valence‐Bond Modeling (ChemPhysChem 6/2019) Chemphyschem. 20: 786-786. DOI: 10.1002/Cphc.201900202 |
0.629 |
|
| 2018 |
Kumar M, Simonson T, Ohanessian G, Clavaguéra C. Corrigendum: Structure and Thermodynamics of Mg:Phosphate Interactions in Water: A Simulation Study. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 19: 1117. PMID 29733114 DOI: 10.1002/Cphc.201800205 |
0.621 |
|
| 2017 |
Thaunay F, Jana C, Clavaguera C, Ohanessian G. A Strategy for Modeling the Infrared Spectra of Ion-Containing Water Drops. The Journal of Physical Chemistry. A. PMID 29266957 DOI: 10.1021/Acs.Jpca.7B10554 |
0.705 |
|
| 2017 |
Thaunay F, Hassan AA, Cooper RJ, Williams ER, Clavaguéra C, Ohanessian G. Hydration of the sulfate dianion in size-selected water clusters: From SO42−(H2O)9 to SO42−(H2O)13 International Journal of Mass Spectrometry. 418: 15-23. DOI: 10.1016/J.Ijms.2017.01.005 |
0.643 |
|
| 2017 |
Thaunay F, Ohanessian G, Clavaguéra C. Dynamics of ions in a water drop using the AMOEBA polarizable force field Chemical Physics Letters. 671: 131-137. DOI: 10.1016/J.Cplett.2017.01.024 |
0.608 |
|
| 2016 |
Jana C, Ohanessian G, Clavaguéra C. Theoretical insight into the coordination number of hydrated $$\mathrm{Zn}^{2+}$$ Zn 2 + from gas phase to solution Theoretical Chemistry Accounts. 135. DOI: 10.1007/S00214-016-1887-8 |
0.584 |
|
| 2015 |
Thaunay F, Dognon JP, Ohanessian G, Clavaguéra C. Vibrational mode assignment of finite temperature infrared spectra using the AMOEBA polarizable force field. Physical Chemistry Chemical Physics : Pccp. 17: 25968-77. PMID 26214153 DOI: 10.1039/C5Cp02270C |
0.653 |
|
| 2015 |
Thaunay F, Clavaguéra C, Ohanessian G. Hydration of the sulfate dianion in cold nanodroplets: SO4(2-)(H2O)12 and SO4(2-)(H2O)13. Physical Chemistry Chemical Physics : Pccp. 17: 25935-45. PMID 26102590 DOI: 10.1039/C5Cp02557E |
0.681 |
|
| 2015 |
McMahon TB, Ohanessian G. Probing the mechanisms and dynamics of gas phase hydrogen-deuterium exchange reactions of sodiated polyglycines. Physical Chemistry Chemical Physics : Pccp. 17: 4237-49. PMID 25573245 DOI: 10.1039/C4Cp03960B |
0.414 |
|
| 2015 |
Kumar M, Simonson T, Ohanessian G, Clavaguéra C. Structure and thermodynamics of Mg:phosphate interactions in water: a simulation study. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 16: 658-65. PMID 25528981 DOI: 10.1002/Cphc.201402685 |
0.653 |
|
| 2014 |
Semrouni D, Sharma A, Dognon JP, Ohanessian G, Clavaguéra C. Finite Temperature Infrared Spectra from Polarizable Molecular Dynamics Simulations. Journal of Chemical Theory and Computation. 10: 3190-9. PMID 26588289 DOI: 10.1021/Ct5004065 |
0.804 |
|
| 2014 |
Sharma A, Ohanessian G, Clavaguéra C. Accuracy of density functionals in the description of dispersion interactions and IR spectra of phosphates and phosphorylated compounds. Journal of Molecular Modeling. 20: 2426. PMID 25146430 DOI: 10.1007/S00894-014-2426-Y |
0.651 |
|
| 2014 |
Semrouni D, Sharma A, Dognon JP, Ohanessian G, Clavaguéra C. Finite temperature infrared spectra from polarizable molecular dynamics simulations Journal of Chemical Theory and Computation. 10: 3190-3199. DOI: 10.1021/ct5004065 |
0.775 |
|
| 2014 |
Sharma A, Ohanessian G, Clavaguéra C. Accuracy of density functionals in the description of dispersion interactions and IR spectra of phosphates and phosphorylated compounds Journal of Molecular Modeling. 20. DOI: 10.1007/s00894-014-2426-y |
0.589 |
|
| 2013 |
Khodabandeh MH, Reisi H, Davari MD, Zare K, Zahedi M, Ohanessian G. Interaction modes and absolute affinities of α-amino acids for Mn2+: A comprehensive picture Chemphyschem. 14: 1733-1745. PMID 23589411 DOI: 10.1002/Cphc.201200964 |
0.319 |
|
| 2013 |
Parks JH, Semrouni D, Clavaguéra C, Ohanessian G. Relationship between conformational dynamics and electron transfer in a desolvated peptide. Part II. Temperature dependence. The Journal of Physical Chemistry. B. 117: 1756-69. PMID 23297809 DOI: 10.1021/Jp3078437 |
0.807 |
|
| 2013 |
Parks JH, Semrouni D, Clavaguéra C, Ohanessian G. Relationship between conformational dynamics and electron transfer in a desolvated peptide. Part II. Temperature dependence. The Journal of Physical Chemistry. B. 117: 1756-69. PMID 23297809 DOI: 10.1021/Jp3078437 |
0.807 |
|
| 2013 |
Semrouni D, Clavaguéra C, Ohanessian G, Parks JH. Relationship between conformational dynamics and electron transfer in a desolvated peptide. Part I. Structures. The Journal of Physical Chemistry. B. 117: 1746-55. PMID 23297778 DOI: 10.1021/Jp3078375 |
0.819 |
|
| 2013 |
Semrouni D, Clavaguéra C, Ohanessian G, Parks JH. Relationship between conformational dynamics and electron transfer in a desolvated peptide. Part I. Structures. The Journal of Physical Chemistry. B. 117: 1746-55. PMID 23297778 DOI: 10.1021/Jp3078375 |
0.819 |
|
| 2012 |
Balaj OP, Semrouni D, Steinmetz V, Nicol E, Clavaguéra C, Ohanessian G. Structure of sodiated polyglycines Chemistry - a European Journal. 18: 4583-4592. PMID 22389058 DOI: 10.1002/Chem.201102812 |
0.799 |
|
| 2012 |
Joshi K, Semrouni D, Ohanessian G, Clavaguéra C. Structures and IR spectra of the Gramicidin S peptide: pushing the quest for low-energy conformations. The Journal of Physical Chemistry. B. 116: 483-90. PMID 22087728 DOI: 10.1021/Jp207102V |
0.819 |
|
| 2012 |
Martens JK, Compagnon I, Nicol E, McMahon TB, Clavaguéra C, Ohanessian G. Globule to helix transition in sodiated polyalanines Journal of Physical Chemistry Letters. 3: 3320-3324. DOI: 10.1021/Jz301326W |
0.685 |
|
| 2012 |
Joshi K, Semrouni D, Ohanessian G, Clavaguéra C. Structures and IR spectra of the gramicidin s peptide: Pushing the quest for low-energy conformations Journal of Physical Chemistry B. 116: 483-490. DOI: 10.1021/jp207102v |
0.799 |
|
| 2012 |
Joshi K, Semrouni D, Ohanessian G, Clavaguéra C. Structures and IR spectra of the gramicidin s peptide: Pushing the quest for low-energy conformations Journal of Physical Chemistry B. 116: 483-490. DOI: 10.1021/jp207102v |
0.799 |
|
| 2011 |
Satpati P, Clavaguéra C, Ohanessian G, Simonson T. Free energy simulations of a GTPase: GTP and GDP binding to archaeal initiation factor 2. The Journal of Physical Chemistry. B. 115: 6749-63. PMID 21534562 DOI: 10.1021/Jp201934P |
0.657 |
|
| 2011 |
Satpati P, Clavaguéra C, Ohanessian G, Simonson T. Free energy simulations of a GTPase: GTP and GDP binding to archaeal initiation factor 2 Journal of Physical Chemistry B. 115: 6749-6763. DOI: 10.1021/jp201934p |
0.577 |
|
| 2011 |
Scuderi D, Bakker JM, Durand S, Maitre P, Sharma A, Martens JK, Nicol E, Clavaguéra C, Ohanessian G. Structure of singly hydrated, protonated phospho-tyrosine International Journal of Mass Spectrometry. 308: 338-347. DOI: 10.1016/J.Ijms.2011.08.031 |
0.761 |
|
| 2010 |
Picot D, Ohanessian G, Frison G. Thermodynamic stability versus kinetic lability of ZnS4 core. Chemistry, An Asian Journal. 5: 1445-54. PMID 20397184 DOI: 10.1002/Asia.200900624 |
0.337 |
|
| 2010 |
Semrouni D, Ohanessian G, Clavaguéra C. Structural, energetic and dynamical properties of sodiated oligoglycines: Relevance of a polarizable force field Physical Chemistry Chemical Physics. 12: 3450-3462. PMID 20355287 DOI: 10.1039/B924317H |
0.818 |
|
| 2010 |
Rijs AM, Ohanessian G, Oomens J, Meijer G, Von Helden G, Compagnon I. Internal proton transfer leading to stable zwitterionic structures in a neutral isolated peptide Angewandte Chemie - International Edition. 49: 2332-2335. PMID 20191644 DOI: 10.1002/Anie.200906503 |
0.378 |
|
| 2010 |
Semrouni D, Balaj OP, Calvo F, Correia CF, Clavagura C, Ohanessian G. Structure of Sodiated Octa-Glycine: IRMPD Spectroscopy and Molecular Modeling Journal of the American Society For Mass Spectrometry. 21: 728-738. PMID 20189824 DOI: 10.1016/J.Jasms.2010.01.029 |
0.81 |
|
| 2010 |
Semrouni D, Clavaguéra C, Dognon JP, Ohanessian G. Assessment of density functionals for predicting the infrared spectrum of sodiated octa-glycine International Journal of Mass Spectrometry. 297: 152-161. DOI: 10.1016/J.Ijms.2010.08.006 |
0.819 |
|
| 2010 |
Semrouni D, Clavaguéra C, Dognon JP, Ohanessian G. Assessment of density functionals for predicting the infrared spectrum of sodiated octa-glycine International Journal of Mass Spectrometry. 297: 152-161. DOI: 10.1016/J.Ijms.2010.08.006 |
0.819 |
|
| 2010 |
Khodabandeh MH, Davari MD, Zahedi M, Ohanessian G. Complexation of glycine by manganese (II) in the gas phase: A theoretical study International Journal of Mass Spectrometry. 291: 73-83. DOI: 10.1016/J.Ijms.2010.01.012 |
0.334 |
|
| 2009 |
Cimas A, Maitre P, Ohanessian G, Gaigeot MP. Molecular Dynamics and Room Temperature Vibrational Properties of Deprotonated Phosphorylated Serine. Journal of Chemical Theory and Computation. 5: 2388-400. PMID 26616620 DOI: 10.1021/Ct900179D |
0.596 |
|
| 2009 |
Scuderi D, Correia CF, Balaj OP, Ohanessian G, Lemaire J, Maitre P. Structural characterization by IRMPD spectroscopy and DFT calculations of deprotonated phosphorylated amino acids in the gas phase Chemphyschem. 10: 1630-1641. PMID 19347918 DOI: 10.1002/Cphc.200800856 |
0.585 |
|
| 2009 |
Cimas A, Maitre P, Ohanessian G, Gaigeot MP. Molecular dynamics and room temperature vibrational properties of deprotonated phosphorylated serine Journal of Chemical Theory and Computation. 5: 2388-2400. DOI: 10.1021/ct900179d |
0.501 |
|
| 2008 |
Correia CF, Clavaguera C, Erlekam U, Scuderi D, Ohanessian G. IRMPD spectroscopy of a protonated, phosphorylated dipeptide Chemphyschem. 9: 2564-2573. PMID 18979489 DOI: 10.1002/Cphc.200800469 |
0.699 |
|
| 2008 |
Correia CF, Clavaguera C, Erlekam U, Scuderi D, Ohanessian G. IRMPD spectroscopy of a protonated, phosphorylated dipeptide Chemphyschem. 9: 2564-2573. PMID 18979489 DOI: 10.1002/cphc.200800469 |
0.331 |
|
| 2008 |
Picot D, Ohanessian G, Frison G. The alkylation mechanism of zinc-bound thiolates depends upon the zinc ligands. Inorganic Chemistry. 47: 8167-78. PMID 18712862 DOI: 10.1021/Ic800697S |
0.362 |
|
| 2008 |
Correia CF, Balaj PO, Scuderi D, Maitre P, Ohanessian G. Vibrational signatures of protonated, phosphorylated amino acids in the gas phase Journal of the American Chemical Society. 130: 3359-3370. PMID 18293967 DOI: 10.1021/Ja073868Z |
0.621 |
|
| 2008 |
Correia CF, Balaj PO, Scuderi D, Maitre P, Ohanessian G. Vibrational signatures of protonated, phosphorylated amino acids in the gas phase Journal of the American Chemical Society. 130: 3359-3370. PMID 18293967 DOI: 10.1021/ja073868z |
0.306 |
|
| 2008 |
Hoffner G, Hoppilliard Y, Van Der Rest G, Dansette P, Djian P, Ohanessian G. [Nε-(γ-glutamyl) lysine] as a potential biomarker in neurological diseases: New detection method and fragmentation pathways Journal of Mass Spectrometry. 43: 456-469. PMID 18064578 DOI: 10.1002/Jms.1331 |
0.345 |
|
| 2008 |
Wang P, Polce MJ, Ohanessian G, Wesdemiotis C. The sodium ion affinities of cytosine and its methylated derivatives Journal of Mass Spectrometry. 43: 485-494. PMID 17994645 DOI: 10.1002/Jms.1336 |
0.387 |
|
| 2008 |
Balaj OP, Kapota C, Lemaire J, Ohanessian G. Vibrational signatures of sodiated oligopeptides (GG-Na+, GGG-Na+, AA-Na+ and AAA-Na+) in the gas phase International Journal of Mass Spectrometry. 269: 196-209. DOI: 10.1016/J.Ijms.2007.10.004 |
0.399 |
|
| 2008 |
Wang P, Ohanessian G, Wesdemiotis C. The sodium ion affinities of asparagine, glutamine, histidine and arginine International Journal of Mass Spectrometry. 269: 34-45. DOI: 10.1016/J.Ijms.2007.09.008 |
0.36 |
|
| 2007 |
Wang P, Wesdemiotis C, Kapota C, Ohanessian G. The Sodium Ion Affinities of Simple Di-, Tri-, and Tetrapeptides Journal of the American Society For Mass Spectrometry. 18: 541-552. PMID 17157529 DOI: 10.1016/J.Jasms.2006.10.024 |
0.413 |
|
| 2006 |
Colas C, Bouchonnet S, Rogalewicz-Gilard F, Popot MA, Ohanessian G. Proton and sodium cation affinities of harpagide: A computational study Journal of Physical Chemistry A. 110: 7503-7508. PMID 16759142 DOI: 10.1021/Jp061526U |
0.376 |
|
| 2005 |
Kapota C, Ohanessian G. The low energy tautomers and conformers of the dipeptides HisGly and GlyHis and of their sodium ion complexes in the gas phase Physical Chemistry Chemical Physics. 7: 3744-3755. PMID 16358024 DOI: 10.1039/B508092D |
0.404 |
|
| 2005 |
Rondeau D, Rogalewicz F, Ohanessian G, Levillain E, Odobel F, Richomme P. Electrolytic electrospray ionization mass spectrometry of quaterthiophene-bridged bisporphyrins: beyond the identification tool. Journal of Mass Spectrometry : Jms. 40: 628-35. PMID 15724271 DOI: 10.1002/Jms.833 |
0.402 |
|
| 2004 |
Kapota C, Lemaire J, Maître P, Ohanessian G. Vibrational signature of charge solvation vs salt bridge isomers of sodiated amino acids in the gas phase. Journal of the American Chemical Society. 126: 1836-42. PMID 14871116 DOI: 10.1021/Ja036932V |
0.603 |
|
| 2004 |
Hoppilliard Y, Ohanessian G, Bourcier S. Fragmentation mechanisms of glycine-Cu+ in the gas phase. An experimental and theoretical study Journal of Physical Chemistry A. 108: 9687-9696. DOI: 10.1021/Jp047905+ |
0.369 |
|
| 2004 |
Kish MM, Wesdemiotis C, Ohanessian G. The sodium ion affinity of glycylglycine Journal of Physical Chemistry B. 108: 3086-3091. DOI: 10.1021/Jp0367676 |
0.402 |
|
| 2003 |
Rogalewicz F, Louazel G, Hoppilliard Y, Ohanessian G. Structures and fragmentations of electrosprayed Zn(II) complexes of carboxylic acids in the gas phase: Isomerisation versus desolvation during the last desolvation step International Journal of Mass Spectrometry. 228: 779-795. DOI: 10.1016/S1387-3806(03)00244-6 |
0.32 |
|
| 2003 |
Rogalewicz F, Hoppilliard Y, Ohanessian G. Structures and fragmentations of zinc(II) complexes of amino acids in the gas phase IV. Solvent effect on the structure of electrosprayed ions International Journal of Mass Spectrometry. 227: 439-451. DOI: 10.1016/S1387-3806(03)00103-9 |
0.37 |
|
| 2003 |
Kish MM, Ohanessian G, Wesdemiotis C. The Na+ affinities of α-amino acids: Side-chain substituent effects International Journal of Mass Spectrometry. 227: 509-524. DOI: 10.1016/S1387-3806(03)00082-4 |
0.381 |
|
| 2002 |
Talley JM, Cerda BA, Ohanessian G, Wesdemiotis C. Alkali metal ion binding to amino acids versus their methyl esters: Affinity trends and structural changes in the gas phase Chemistry - a European Journal. 8: 1377-1388. PMID 11921221 DOI: 10.1002/1521-3765(20020315)8:6<1377::Aid-Chem1377>3.0.Co;2-D |
0.32 |
|
| 2001 |
Hoyau S, Pélicier JP, Rogalewicz F, Hoppilliard Y, Ohanessian G. Complexation of glycine by atomic metal cations in the gas phase European Journal of Mass Spectrometry. 7: 303-311. DOI: 10.1255/Ejms.440 |
0.34 |
|
| 2001 |
Rogalewicz F, Hoppilliard Y, Ohanessian G. Structures and fragmentations of zinc(II) complexes of amino acids in the gas phase. III. Rearrangement versus desolvation in the electrospray formation of the glycine-zinc complex International Journal of Mass Spectrometry. 206: 45-52. DOI: 10.1016/S1387-3806(00)00383-3 |
0.363 |
|
| 2001 |
Hoppilliard Y, Rogalewicz F, Ohanessian G. Structures and fragmentations of zinc(II) complexes of amino acids in the gas phase. II. Decompositions of glycine-Zn(II) complexes International Journal of Mass Spectrometry. 204: 267-280. DOI: 10.1016/S1387-3806(00)00358-4 |
0.313 |
|
| 2000 |
McMahon TB, Ohanessian G. An experimental and Ab initio study of the nature of the binding in gas-phase complexes of sodium ions Chemistry (Weinheim An Der Bergstrasse, Germany). 6: 2931-41. PMID 10993254 DOI: 10.1002/1521-3765(20000818)6:16<2931::Aid-Chem2931>3.0.Co;2-7 |
0.385 |
|
| 2000 |
Rogalewicz F, Hoppilliard Y, Ohanessian G. Fragmentation mechanisms of α-amino acids protonated under electrospray ionization: A collisional activation and ab initio theoretical study International Journal of Mass Spectrometry. 195: 565-590. DOI: 10.1016/S1387-3806(99)00225-0 |
0.399 |
|
| 2000 |
Rogalewicz F, Hoppilliard Y, Ohanessian G. Structures and fragmentations of zinc(II) complexes of amino acids in the gas phase. I. Electrosprayed ions which are structurally different from their liquid phase precursors International Journal of Mass Spectrometry. 201: 307-320. DOI: 10.1016/S1387-3806(00)00226-8 |
0.37 |
|
| 2000 |
Rogalewicz F, Ohanessian G, Gresh N. Interaction of Neutral and Zwitterionic Glycine with Zn2+ in Gas Phase: Ab Initio and SIBFA Molecular Mechanics Calculations Journal of Computational Chemistry. 21: 963-973. DOI: 10.1002/1096-987X(200008)21:11<963::Aid-Jcc6>3.0.Co;2-3 |
0.304 |
|
| 2000 |
Rogalewicz F, Ohanessian G, Gresh N. Interaction of Neutral and Zwitterionic Glycine with Zn2+ in Gas Phase: Ab Initio and SIBFA Molecular Mechanics Calculations Journal of Computational Chemistry. 21: 963-973. DOI: 10.1002/1096-987X(200008)21:11<963::Aid-Jcc6>3.0.Co;2-3 |
0.304 |
|
| 1998 |
Cerda BA, Hoyau S, Ohanessian G, Wesdemiotis C. Na+ binding to cyclic and linear dipeptides. Bond energies, entropies of Na+ complexation, and attachment sites from the dissociation of Na+-bound heterodimers and ab initio calculations Journal of the American Chemical Society. 120: 2437-2448. DOI: 10.1021/Ja972417J |
0.411 |
|
| 1998 |
Gee C, Boissel P, Ohanessian G. Metal–acetylene binding in gaseous WC2H2+ Chemical Physics Letters. 298: 85-92. DOI: 10.1016/S0009-2614(98)01189-0 |
0.363 |
|
| 1998 |
Hoyau S, Ohanessian G. Interaction of alkali metal cations (Li+- Cs+) with glycine in the gas phase: A theoretical study Chemistry - a European Journal. 4: 1561-1569. DOI: 10.1002/(Sici)1521-3765(19980807)4:8<1561::Aid-Chem1561>3.0.Co;2-Z |
0.393 |
|
| 1997 |
Büker HH, Maître P, Ohanessian G. Theoretical Study of Tungsten Carbonyl Complexes (n = 1−6): Structures, Binding Energies, and Implications for Gas Phase Reactivities Journal of Physical Chemistry A. 101: 3966-3976. DOI: 10.1021/Jp9639962 |
0.567 |
|
| 1997 |
Hoyau S, Ohanessian G. Absolute affinities of α-amino acids for Cu+ in the gas phase. A theoretical study Journal of the American Chemical Society. 119: 2016-2024. DOI: 10.1021/Ja963432B |
0.32 |
|
| 1997 |
Hoyau S, Ohanessian G. Complexation of small organic molecules by Cu+ Chemical Physics Letters. 280: 266-272. DOI: 10.1016/S0009-2614(97)01152-4 |
0.379 |
|
| 1997 |
Büker HH, Maître P, Ohanessian G. Theoretical study of tungsten carbonyl complexes W(CO)n + (n = 1-6): Structures, binding energies, and implications for gas phase reactivities Journal of Physical Chemistry A. 101: 3966-3976. |
0.489 |
|
| 1995 |
Berthomieu D, Brenner V, Ohanessian G, Denhez JP, Millié P, Audier HE. Ion-neutral complexes of protonated alkylbenzenes: Experimental and theoretical studies Journal of Physical Chemistry. 99: 712-720. DOI: 10.1021/J100002A040 |
0.395 |
|
| 1995 |
Mourgues P, Ohanessian G. Modulation of the gas-phase reactivity of W+ by carbonyl ligands: Activation of hydrocarbons by W(CO)x+ (x=1-4) Rapid Communications in Mass Spectrometry. 9: 1201-1209. DOI: 10.1002/Rcm.1290091223 |
0.341 |
|
| 1994 |
Perry JK, Ohanessian G, Goddard WA. Mechanism and energetics for dehydrogenation of methane by gaseous iridium ions Organometallics. 13: 1870-1877. DOI: 10.1021/Om00017A050 |
0.384 |
|
| 1993 |
Hiberty PC, Ohanessian G, Flament JP, Shaik SS. The delocalization of π electronic systems as a destabilizing constraint imposed by the σ frame. Allyl, benzene, cyclobutadiene and related heteroannulenes Pure and Applied Chemistry. 65: 35-45. DOI: 10.1351/Pac199365010035 |
0.617 |
|
| 1993 |
Perry JK, Ohanessian G, Goddard WA. Molecular complexes of small alkanes with cobalt(1+) The Journal of Physical Chemistry. 97: 5238-5245. DOI: 10.1021/J100122A012 |
0.446 |
|
| 1993 |
Ferhati A, Sozzi G, Ohanessian G. Fourier transform ion cyclotron resonance study of the dehydrogenative polymerization of allene and propyne induced by W+ in the gas phase Organic Mass Spectrometry. 28: 1453-1461. DOI: 10.1002/Oms.1210281216 |
0.308 |
|
| 1992 |
Perry JK, Goddard WA, Ohanessian G. Inequivalence of equivalent bonds: Symmetry breaking in Co(CH 3)2 + The Journal of Chemical Physics. 97: 7560-7572. DOI: 10.1063/1.463476 |
0.407 |
|
| 1992 |
Maître P, Ohanessian G. Analysis of correlation consistent wavefunctions: H3XH bond energies (X=C, Si and Ge) Chemical Physics. 168: 237-247. DOI: 10.1016/0301-0104(92)87158-6 |
0.575 |
|
| 1990 |
Ohanessian G, Brusich MJ, Goddard WA. Theoretical study of transition-metal hydrides. 5. Hafnium to mercury (HfH+ through HgH+), barium and lanthanum (BaH+ and LaH+) Journal of the American Chemical Society. 112: 7179-7189. DOI: 10.1021/Ja00176A016 |
0.458 |
|
| 1990 |
Sini G, Ohanessian G, Hiberty PC, Shaik SS. Why is SiH5- a stable intermediate while CH5- is a transition state? A quantitative curve crossing valence bond study Journal of the American Chemical Society. 112: 1407-1413. DOI: 10.1021/Ja00160A018 |
0.54 |
|
| 1990 |
Maitre P, Hiberty PC, Ohanessian G, Shaik SS. Quantitative valence bond computations of curve-crossing diagrams for model atom exchange reactions The Journal of Physical Chemistry. 94: 4089-4093. DOI: 10.1021/J100373A038 |
0.649 |
|
| 1990 |
Maitre P, Lefour JM, Ohanessian G, Hiberty PC. Correlation-consistent valence bond method with purely local orbitals: application to hydrogen, lithium dimer, hydrogen fluoride, fluorine and collinear hydrogen (H3) and lithium (Li3) The Journal of Physical Chemistry. 94: 4082-4089. DOI: 10.1021/J100373A037 |
0.681 |
|
| 1990 |
Ohanessian G, Goddard WA. Valence-bond concepts in transition metals: Metal hydride diatomic cations Accounts of Chemical Research. 23: 386-392. DOI: 10.1021/Ar00179A007 |
0.355 |
|
| 1990 |
Maitre P, Lefour JM, Ohanessian G, Hiberty PC. Correlation-consistent valence bond method with purely local orbitals. Application to H2, Li2, FH, F2, and collinear H3 and Li3 Journal of Physical Chemistry®. 94: 4082-4089. |
0.631 |
|
| 1990 |
Maitre P, Hiberty PC, Ohanessian G, Shaik SS. Quantitative valence bond computations of curve-crossing diagrams for model atom exchange reactions Journal of Physical Chemistry®. 94: 4089-4093. |
0.649 |
|
| 1990 |
Sini G, Ohanessian G, Hiberty PC, Shaik SS. Why is SiH5 - a stable intermediate while CH5 - is a transition state? A quantitative curve crossing valence bond study Journal of the American Chemical Society. 112: 1407-1413. |
0.499 |
|
| 1989 |
Sini G, Shaik SS, Lefour JM, Ohanessian G, Hiberty PC. Quantitative valence bond computation of a curve crossing diagram for a model SN2 reaction: H- + CH3H' .fwdarw. HCH3 + H'- The Journal of Physical Chemistry. 93: 5661-5665. DOI: 10.1021/J100352A007 |
0.556 |
|
| 1989 |
Demolliens A, Eisenstein O, Hiberty PC, Lefour JM, Ohanessian G, Shaik SS, Volatron F. Hypercoordinated XHn+1 radicals for first- and second-row atoms. A valence bond analysis Journal of the American Chemical Society. 111: 5623-5631. |
0.519 |
|
| 1989 |
Sini G, Shaik SS, Lefour JM, Ohanessian G, Hiberty PC. Quantitative valence bond computation of a curve crossing diagram for a model SN2 reaction, H- + CH3H′ → HCH3 + H′- Journal of Physical Chemistry. 93: 5661-5665. |
0.518 |
|
| 1988 |
Shaik SS, Hiberty PC, Ohanessian G, Lefour JM. When does electronic delocalization become a driving force of chemical bonding? The Journal of Physical Chemistry. 92: 5086-5094. DOI: 10.1021/J100329A008 |
0.496 |
|
| 1988 |
Ohanessian G, Hiberty PC, Lefour JM, Flament JP, Shaik SS. Is delocalization a driving force in chemistry? First- and second-row heteroannulenes Inorganic Chemistry. 27: 2219-2224. DOI: 10.1021/Ic00286A004 |
0.524 |
|
| 1988 |
Shaik SS, Hiberty PC, Ohanessian G, Lefour JM. When does electronic delocalization become a driving force of chemical bonding? Journal of Physical Chemistry. 92: 5086-5094. |
0.54 |
|
| 1988 |
Ohanessian G, Hiberty PC, Lefour JM, Flament JP, Shaik SS. Is delocalization a driving force in chemistry? First- and second-row heteroannulenes Inorganic Chemistry. 27: 2219-2224. |
0.47 |
|
| 1987 |
Shaik SS, Hiberty PC, Lefour JM, Ohanessian G. Is delocalization a driving force in chemistry? Benzene, allyl radical, cyclobutadiene, and their isoelectronic species Journal of the American Chemical Society. 109: 363-374. DOI: 10.1021/Ja00236A013 |
0.581 |
|
| 1987 |
Ohanessian G, Hiberty PC. Orthogonalized atomic orbitals and the interpretation of valence bond wavefunctions Chemical Physics Letters. 137: 437-440. DOI: 10.1016/0009-2614(87)80229-4 |
0.512 |
|
| 1987 |
SHAIK SS, HIBERTY PC, LEFOUR J, OHANESSIAN G. ChemInform Abstract: Is Delocalization a Driving Force in Chemistry? Benzene, Allyl Radical, Cyclobutadiene, and Their Isoelectronic Species. Cheminform. 18. DOI: 10.1002/chin.198722053 |
0.484 |
|
| 1987 |
HIBERTY PC, SHAIK SS, OHANESSIAN G, LEFOUR J. ChemInform Abstract: The π-Distortive Propensities in Benzene and the Allyl Radical. A Reply to a Criticism. Cheminform. 18. DOI: 10.1002/chin.198712044 |
0.487 |
|
| 1987 |
Shaik SS, Hiberty PC, Lefour JM, Ohanessian G. Is delocalization a driving force in chemistry? Benzene, allyl radical, cyclobutadiene, and their isoelectronic species Journal of the American Chemical Society. 109: 363-374. |
0.478 |
|
| 1986 |
Hiberty PC, Shaik SS, Ohanessian G, Lefour JM. The .pi.-distortive propensities in benzene and the allyl radical. A reply to a criticism The Journal of Organic Chemistry. 51: 3908-3909. DOI: 10.1021/Jo00370A035 |
0.524 |
|
| 1986 |
HIBERTY PC, SHAIK SS, LEFOUR J, OHANESSIAN G. ChemInform Abstract: Is the Delocalized π-System of Benzene a Stable Electronic System? Chemischer Informationsdienst. 17. DOI: 10.1002/Chin.198618081 |
0.497 |
|
| 1986 |
Hiberty PC, Shaik SS, Ohanessian G, Lefour JM. The π-distortive propensities in benzene and the allyl radical. A reply to a criticism Journal of Organic Chemistry. 51: 3908-3909. |
0.482 |
|
| 1985 |
Hiberty PC, Shaik SS, Lefour JM, Ohanessian G. Is the delocalized .pi. system of benzene a stable electronic system? The Journal of Organic Chemistry. 50: 4657-4659. DOI: 10.1021/Jo00223A052 |
0.537 |
|
| 1985 |
Hiberty PC, Ohanessian G. The valence bond description of conjugated molecules. II. A very simple method to approximate the structural weights of a fully correlated valence bond wavefunction International Journal of Quantum Chemistry. 27: 259-272. DOI: 10.1002/qua.560270304 |
0.547 |
|
| 1985 |
Hiberty PC, Ohanessian G. The valence bond description of conjugated molecules i.SCFlevel International Journal of Quantum Chemistry. 27: 245-257. DOI: 10.1002/qua.560270303 |
0.539 |
|
| 1985 |
Hiberty PC, Ohanessian G, Delbecq F. The valence-bond description of conjugated molecules. 4. Theoretical study of the Mills-Nixon effect, a phenomenon of π-bond localization in small ring annelated aromatics Journal of the American Chemical Society. 107: 3095-3100. DOI: 10.1002/Chin.198538059 |
0.586 |
|
| 1985 |
Hiberty PC, Shaik SS, Lefour JM, Ohanessian G. Is the delocalized π-system of benzene a stable electronic system? Journal of Organic Chemistry. 50: 4657-4659. |
0.491 |
|
| 1984 |
Hiberty PC, Ohanessian G. Valence-bond description of conjugated molecules. 3. The through-resonance concept in para-substituted nitrobenzenes Journal of the American Chemical Society. 106: 6963-6968. |
0.529 |
|
| 1983 |
Hiberty PC, Ohanessian G, Schlegel HB. Theoretical ab initio study of 1,3-dipolar cycloaddition of fulminic acid to acetylene. Support for firestone's mechanism Journal of the American Chemical Society. 105: 719-723. |
0.487 |
|
| 1982 |
Hiberty PC, Ohanessian G. Comparison of minimal and extended basis sets in terms of resonant formulas. Application to 1,3 dipoles Journal of the American Chemical Society. 104: 66-70. |
0.45 |
|
| Show low-probability matches. |
