| Year |
Citation |
Score |
| 2020 |
Bhattacharyya S, Harrison JF. Electronic structure and bonding of the ScNH and YNH molecules Chemical Physics Letters. 754: 137735. DOI: 10.1016/J.Cplett.2020.137735 |
0.412 |
|
| 2019 |
Bhattacharyya S, Harrison JF. Theoretical study of the electronic structure and bonding of LaNH Chemical Physics Letters. 730: 551-556. DOI: 10.1016/J.Cplett.2019.06.042 |
0.43 |
|
| 2016 |
Bhattacharyya S, Mukund S, Harrison JF, Nakhate SG. The NbN C3Π−X3Δ (1–0) band: Experimental and theoretical study of the spin-orbit interaction between the C3Π and e1Π states Chemical Physics Letters. 663: 133-136. DOI: 10.1016/J.Cplett.2016.09.076 |
0.322 |
|
| 2014 |
Harrison JF. A Hirshfeld interpretation of the charge, spin distribution and polarity of the dipole moment of the open shell (3∑-) phosphorus halides: PF and PCL Theoretical Chemistry Accounts. 133: 1-10. DOI: 10.1007/S00214-014-1486-5 |
0.327 |
|
| 2013 |
Miliordos E, Harrison JF. Hirshfeld density partitioning technique: a first application to the transition metal compounds, HScO, TiO, VO. The Journal of Chemical Physics. 138: 184305. PMID 23676042 DOI: 10.1063/1.4803478 |
0.386 |
|
| 2013 |
Miliordos E, Harrison JF, Hunt KL. Ground and excited states of vanadium hydroxide isomers and their cations, VOH(0,+) and HVO(0,+). The Journal of Chemical Physics. 138: 114305. PMID 23534637 DOI: 10.1063/1.4793744 |
0.395 |
|
| 2012 |
Harrison JF. A Hirshfeld-I interpretation of the local moment composition of the quadrupole moments of the halogenated acetylenes FCCF, ClCCCl, BrCCBr, and ICCI Computational and Theoretical Chemistry. 999: 83-88. DOI: 10.1016/J.Comptc.2012.08.017 |
0.386 |
|
| 2011 |
Gasseller M, DeNinno M, Loo R, Harrison JF, Caymax M, Rogge S, Tessmer SH. Single-electron capacitance spectroscopy of individual dopants in silicon. Nano Letters. 11: 5208-12. PMID 22022859 DOI: 10.1021/Nl2025163 |
0.328 |
|
| 2011 |
Miliordos E, Harrison JF, Hunt KL. Ab initio investigation of titanium hydroxide isomers and their cations, TiOH(0,+) and HTiO(0,+). The Journal of Chemical Physics. 135: 144111. PMID 22010702 DOI: 10.1063/1.3644963 |
0.402 |
|
| 2011 |
Li X, Harrison JF, Gustafsson M, Frommhold L, Hunt KLC. The anisotropic polarizability of pairs of hydrogen molecules and the depolarized collision-induced roto-translational Raman light scattering spectra Atomic and Molecular Nonlinear Optics: Theory, Experiment and Computation. a Homage to the Pioneering Work of Stanislaw Kielich (1925-1993). 254-286. DOI: 10.3233/Jcm-2010-0328 |
0.377 |
|
| 2010 |
Harrison JF. A Hirshfeld-I interpretation of the charge distribution, dipole and quadrupole moments of the halogenated acetylenes FCCH, ClCCH, BrCCH, and ICCH. The Journal of Chemical Physics. 133: 214103. PMID 21142297 DOI: 10.1063/1.3511784 |
0.389 |
|
| 2009 |
Harrison JF. A Hirshfeld interpretation of the charge, spin distribution, and polarity of the dipole moment of the open shell (3Sigma-) nitrogen halides: NF, NCl, and NBr. The Journal of Chemical Physics. 131: 044117. PMID 19655847 DOI: 10.1063/1.3190330 |
0.337 |
|
| 2009 |
Harrison JF. The calculation of the zero field splitting parameters in carbenes International Journal of Quantum Chemistry. 5: 285-293. DOI: 10.1002/Qua.560050833 |
0.34 |
|
| 2008 |
Harrison JF. Dipole and quadrupole moment functions of the hydrogen halides HF, HCl, HBr, and HI: a Hirshfeld interpretation. The Journal of Chemical Physics. 128: 114320. PMID 18361584 DOI: 10.1063/1.2897445 |
0.371 |
|
| 2008 |
Kuljanishvili I, Kayis C, Harrison JF, Piermarocchi C, Kaplan TA, Tessmer SH, Pfeiffer LN, West KW. Scanning-probe spectroscopy of semiconductor donor molecules Nature Physics. 4: 227-233. DOI: 10.1038/Nphys855 |
0.396 |
|
| 2008 |
Gearhart DJ, Hunt KLC, Harrison JF. The geometry, vibrational frequencies, thermochemistry, quadrupole moments and electronic structure of C2Na2: Comparison with C2Li2, C2H2, C2F2 and C2Cl2 Journal of Molecular Structure: Theochem. 858: 31-38. DOI: 10.1016/J.Theochem.2008.02.034 |
0.673 |
|
| 2008 |
Tessmer SH, Kuljanishvili I, Kayis C, Harrison JF, Piermarocchi C, Kaplan TA. Nanometer-scale capacitance spectroscopy of semiconductor donor molecules Physica B: Condensed Matter. 403: 3774-3780. DOI: 10.1016/J.Physb.2008.07.003 |
0.333 |
|
| 2007 |
Li X, Ahuja C, Harrison JF, Hunt KL. The collision-induced polarizability of a pair of hydrogen molecules. The Journal of Chemical Physics. 126: 214302. PMID 17567191 DOI: 10.1063/1.2121548 |
0.378 |
|
| 2006 |
Harrison JF. Relationship between the charge distribution and dipole moment functions of CO and the related molecules CS, SiO, and SiS. The Journal of Physical Chemistry. A. 110: 10848-57. PMID 16970381 DOI: 10.1021/Jp058279Z |
0.39 |
|
| 2005 |
Harrison JF. On the representation of molecular quadrupole moments in terms of atomic moments. The Journal of Physical Chemistry. A. 109: 5492-7. PMID 16839077 DOI: 10.1021/Jp058050J |
0.416 |
|
| 2005 |
Harrison JF, Lawson DB. Some observations on molecular orbital theory Journal of Chemical Education. 82: 1205-1209. DOI: 10.1021/Ed082P1205 |
0.386 |
|
| 2005 |
Harrison JF, Lawson DB. Quadrupole moments of the alkali dimers, Li 2, Na 2, and K 2 International Journal of Quantum Chemistry. 102: 1087-1091. DOI: 10.1002/Qua.20400 |
0.343 |
|
| 2003 |
Redko MY, Huang RH, Jackson JE, Harrison JF, Dye JL. Barium azacryptand sodide, the first alkalide with an alkaline Earth cation, also contains a novel dimer, (Na(2))(2-). Journal of the American Chemical Society. 125: 2259-63. PMID 12590555 DOI: 10.1021/Ja027241M |
0.314 |
|
| 2003 |
Harrison JF. On the role of the electron density difference in the interpretation of molecular properties Journal of Chemical Physics. 119: 8763-8764. DOI: 10.1063/1.1610432 |
0.381 |
|
| 2003 |
Kalemos A, Dunning TH, Harrison JF, Mavridis A. Electronic structure of linear TiCH Journal of Chemical Physics. 119: 3745-3750. DOI: 10.1063/1.1584425 |
0.429 |
|
| 2003 |
Gearhart DJ, Harrison JF, Hunt KLC. Molecular Quadrupole Moments of HCCH, FCCF, and ClCCCl International Journal of Quantum Chemistry. 95: 697-705. DOI: 10.1002/Qua.10586 |
0.662 |
|
| 2001 |
Kalemos A, Mavridis A, Harrison JF. Theoretical investigation of scandium carbide, ScC Journal of Physical Chemistry A. 105: 755-759. DOI: 10.1021/Jp003031P |
0.413 |
|
| 2000 |
Harrison JF. Electronic structure of diatomic molecules composed of a first-row transition metal and main-group element (h-f). Chemical Reviews. 100: 679-716. PMID 11749248 DOI: 10.1021/Cr980411M |
0.357 |
|
| 2000 |
Su YS, Kaplan TA, Mahanti SD, Harrison JF. Electronic structure of LaMnO3 in the ab initio crystal Hartree-Fock approximation Physical Review B - Condensed Matter and Materials Physics. 61: 1324-1329. DOI: 10.1103/Physrevb.61.1324 |
0.376 |
|
| 2000 |
Perlinger JA, Venkatapathy R, Harrison JF. Linear Free Energy Relationships for Polyhalogenated Alkane Transformation by Electron-transfer Mediators in Model Aqueous Systems Journal of Physical Chemistry A. 104: 2752-2763. DOI: 10.1021/Jp993273T |
0.34 |
|
| 1999 |
Harrison JF, Christopher PS. Electronic structure of the dipositive transition metal hydrides ScH2+, TiH2+, VH2+, CrH2+ and MnH2+ Molecular Physics. 96: 31-42. DOI: 10.1080/00268979909482935 |
0.437 |
|
| 1999 |
Harrison JF, Hutchison JH. The electronic structure of the low lying sextet and quartet states of CrF and CrCl Molecular Physics. 97: 1009-1027. DOI: 10.1080/00268979909482903 |
0.458 |
|
| 1998 |
Lawson DB, Harrison JF. The distance dependence and spatial distribution of the molecular quadrupole moments of P2, S2 and Cl2 Molecular Physics. 93: 519-530. DOI: 10.1080/002689798168862 |
0.315 |
|
| 1998 |
Goodpaster JV, Harrison JF, McGuffin VL. Ab initio study of polycyclic aromatic hydrocarbons in their ground and excited states Journal of Physical Chemistry A. 102: 3372-3381. DOI: 10.1021/Jp980467K |
0.378 |
|
| 1997 |
Lawson DB, Harrison JF. Distance dependence and spatial distribution of the molecular quadrupole moments of H2, N2, O2, and F2 Journal of Physical Chemistry A. 101: 4781-4792. DOI: 10.1021/Jp9703420 |
0.465 |
|
| 1996 |
Glezakou VA, Mavridis A, Harrison JF. Electronic structure of the ground and low-lying excited states of TiP Journal of Physical Chemistry. 100: 13971-13975. DOI: 10.1021/Jp960526Z |
0.426 |
|
| 1996 |
Harrison JF. Electronic structure of the transition metal nitrides TiN, VN, and CrN Journal of Physical Chemistry. 100: 3513-3519. DOI: 10.1021/Jp952648H |
0.443 |
|
| 1996 |
Lawson DB, Harrison JF. Electronic structures of ScLi, TiLi, VLi, CrLi, and CuLi and their positive ions Journal of Physical Chemistry. 100: 6081-6087. DOI: 10.1021/Jp952638G |
0.386 |
|
| 1996 |
Rencsok R, Jackson KA, Kaplan TA, Harrison JF, Pederson MR. Electronic properties of the electride-type molecule Li(9-crown-3)2. Comparison of Hartree-Fock and local density approximations: Implications for crystalline crown ether electrides Chemical Physics Letters. 262: 207-212. DOI: 10.1016/0009-2614(96)01097-4 |
0.399 |
|
| 1995 |
Kaplan TA, Rencsok R, Harrison JF. Erratum: Valence-electron distribution of cesium crown-ether electrides Physical Review. B, Condensed Matter. 51: 2030. PMID 9986949 DOI: 10.1103/Physrevb.51.2030.3 |
0.33 |
|
| 1994 |
Boehm RC, Rencsok RJ, Harrison JF, Kaplan TA. An ab initio investigation of [111]-cryptates: Their structure and their chemistry Journal of Physical Chemistry. 98: 6972-6979. DOI: 10.1021/J100079A015 |
0.356 |
|
| 1994 |
Boehm RC, Rencsok RJ, Harrison JF, Kaplan TA. Rydberg-like ground states of H[111]-cryptate and H2[111]-cryptate: An ab initio study Journal of Physical Chemistry. 98: 6967-6971. DOI: 10.1021/J100079A014 |
0.303 |
|
| 1994 |
Tientega F, Harrison JF. Electronic and geometric structure of the diatomics ScN, ScP and ScAs Chemical Physics Letters. 223: 202-206. DOI: 10.1016/0009-2614(94)00420-X |
0.39 |
|
| 1993 |
Rencsok R, Kaplan TA, Harrison JF. Electronic structure of Li(9‐crown‐3)2: A molecule with a Rydberg‐type ground state Journal of Chemical Physics. 98: 9758-9764. DOI: 10.1063/1.464354 |
0.445 |
|
| 1993 |
Rencsok R, Kaplan TA, Harrison JF. Electronic structure of Li(9-crown-3)2: A molecule with a Rydberg-type ground state The Journal of Chemical Physics. 98: 9758-9764. |
0.301 |
|
| 1991 |
Tientega F, Dye JL, Harrison JF. The electronic structure of potassium diatomic anion (K22-) Journal of the American Chemical Society. 113: 3206-3208. DOI: 10.1021/Ja00008A078 |
0.344 |
|
| 1991 |
Kapellos S, Mavridis A, Harrison JF. Electronic structure of transition-metal amide ions +TiNH2, +VNH2, +CrNH2, and +MnNH2 The Journal of Physical Chemistry. 95: 6860-6865. DOI: 10.1021/J100171A024 |
0.312 |
|
| 1991 |
Nam HH, Leroi GE, Harrison JF. Didehydropyridines (pyridynes) : an ab initio study The Journal of Physical Chemistry. 95: 6514-6519. DOI: 10.1021/J100170A026 |
0.352 |
|
| 1991 |
Kunze KL, Harrison JF. Electronic structure of the thermodynamically stable dication ScN2+ and related molecules The Journal of Physical Chemistry. 95: 6418-6420. DOI: 10.1021/J100170A008 |
0.41 |
|
| 1990 |
Rencsok R, Kaplan TA, Harrison JF. Theoretical action on electrides Physics World. 3: 19-20. DOI: 10.1088/2058-7058/3/5/17 |
0.337 |
|
| 1990 |
Rencsok R, Kaplan TA, Harrison JF. On the electronic structure of electrides The Journal of Chemical Physics. 93: 5875-5882. DOI: 10.1063/1.459584 |
0.381 |
|
| 1990 |
Kunze KL, Harrison JF. Electronic and geometric structures of several states of diatomic scandium nitride Journal of the American Chemical Society. 112: 3812-3825. DOI: 10.1021/Ja00166A015 |
0.335 |
|
| 1990 |
Rivera M, Harrison JF, Alvarado-Swaisgood A. Bonding of intact molecular hydrogen to chromium(1+) and hydridochromium(1+) The Journal of Physical Chemistry. 94: 6969-6973. DOI: 10.1021/J100381A011 |
0.31 |
|
| 1989 |
Kunze KL, Harrison JF. Electronic and geometric structures of the metal nitride cations ScN+, TiN+, VN+, and CrN+ The Journal of Physical Chemistry. 93: 2983-2997. DOI: 10.1021/J100345A026 |
0.337 |
|
| 1988 |
Alvarado-Swaisgood AE, Harrison JF. Electronic and geometric structures of the scandium cations: scandium monohydride(1+), methylscandium(1+), methylenescandium(1+), and methylidynescandium(1+) The Journal of Physical Chemistry. 92: 2757-2762. DOI: 10.1021/J100321A013 |
0.384 |
|
| 1988 |
Allison J, Mavridis A, Harrison JF. The gas phase chemistry of bare and ligated transition metal ions: Correlations of reactivity with electronic structure-I. M+ and MCO+ Polyhedron. 7: 1559-1572. DOI: 10.1016/S0277-5387(00)81782-9 |
0.322 |
|
| 1988 |
Alvardo-Swaisgood AE, Harrison JF. The electronic and geometric structures of the early transition metal cations MCH+, MCH2+ and MCH3+ Journal of Molecular Structure: Theochem. 169: 155-165. DOI: 10.1016/0166-1280(88)80257-4 |
0.374 |
|
| 1986 |
Harrison JF. The electronic and geometric structures of the chromium cations CrF+, CrO+, CrN+, and CrC+ The Journal of Physical Chemistry. 90: 3313-3319. DOI: 10.1021/J100406A004 |
0.365 |
|
| 1986 |
Mavridis A, Alvarado-Swaisgood AE, Harrison JF. The electronic and geometric structures of the transition-metal carbyne cations ScCH+, TiCH+, VCH+, and CrCH+ The Journal of Physical Chemistry. 90: 2584-2588. DOI: 10.1021/J100403A009 |
0.319 |
|
| 1986 |
Alvarado-Swaisgood AE, Harrison JF. Electronic and Geometric Structures of ScH+and ScH2+. Cheminform. 17. DOI: 10.1002/Chin.198609001 |
0.371 |
|
| 1985 |
Alvarado-Swaisgood AE, Harrison JF. Electronic and geometric structures of ScH+ and ScH2+ The Journal of Physical Chemistry. 89: 5198-5202. DOI: 10.1021/J100270A016 |
0.371 |
|
| 1985 |
Alvarado-Swaisgood AE, Allison J, Harrison JF. Electronic and geometric structures of the chromium cations CrH+, CrCH3+, CrCH2+, and CrCH+ The Journal of Physical Chemistry. 89: 2517-2525. DOI: 10.1021/J100258A019 |
0.383 |
|
| 1985 |
Alvarado-Swaisgood AE, Harrison JF. The bonding, dipole moment, and charge distribution in the lowest singlet and triplet states of CH2Li2 The Journal of Physical Chemistry. 89: 62-67. DOI: 10.1021/J100247A017 |
0.33 |
|
| 1984 |
Mavridis A, Harrison JF, Liebman JF. Electronic structure of CNa and CNa2 in their electronic ground states The Journal of Physical Chemistry. 88: 4973-4978. DOI: 10.1021/J150665A036 |
0.535 |
|
| 1983 |
Harrison JF. Electronic structure of scandium fluoride. A low-resolution ab initio study The Journal of Physical Chemistry. 87: 1312-1322. DOI: 10.1021/J100231A010 |
0.363 |
|
| 1983 |
Harrison JF. Electronic Structure Of Scandium Lithide Cheminform. 14. DOI: 10.1002/Chin.198330003 |
0.37 |
|
| 1983 |
Harrison JF. Electronic Structure Of Scandium Fluoride. A Low-Resolution Ab Initio Study Cheminform. 14. DOI: 10.1002/Chin.198330002 |
0.403 |
|
| 1982 |
Mavridis A, Harrison JF. Near-Hartree-Fock calculations on the ground state of the fluoronium ion, FH2+ Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics. 78: 447-455. DOI: 10.1039/F29827800447 |
0.365 |
|
| 1981 |
Botch BH, Dunning TH, Harrison JF. Valence correlation in the s2dn,sdn+1, and dn+2 states of the first-row transition metal atoms The Journal of Chemical Physics. 75: 3466-3476. DOI: 10.1063/1.442456 |
0.416 |
|
| 1981 |
Mueller PH, Rondan NG, Houk KN, Harrison JF, Hooper D, Willen BH, Liebman JF. Carbene singlet-triplet gaps. Linear correlations with substituent .pi.-donation Journal of the American Chemical Society. 103: 5049-5052. DOI: 10.1021/Ja00407A015 |
0.498 |
|
| 1981 |
Mavridis A, Harrison JF. An Ab Initio Study Of The Electronic Structure Of The Ground Triplet And Low-Lying Singlet States Of Formylnitrene, Hcon And Formylphosphinidene, Hcop Cheminform. 12. DOI: 10.1002/Chin.198112082 |
0.418 |
|
| 1980 |
Mavridis A, Harrison JF. An ab initio study of the electronic structure of the ground triplet and low-lying singlet states of formylnitrene, HCON, and formylphosphinidene, HCOP Journal of the American Chemical Society. 102: 7651-7655. DOI: 10.1021/Ja00546A005 |
0.418 |
|
| 1980 |
HARRISON JF, LIEDTKE RC, LIEBMAN JF. ChemInform Abstract: THE MULTIPLICITY OF SUBSTITUTED ACYCLIC CARBENES AND RELATED MOLECULES Chemischer Informationsdienst. 11. DOI: 10.1002/Chin.198009055 |
0.473 |
|
| 1979 |
Dunning TH, Botch BH, Harrison JF. On the orbital description of the 4s3dn+1 states of the transition metal atoms The Journal of Chemical Physics. 72: 3419-3420. DOI: 10.1063/1.439529 |
0.334 |
|
| 1979 |
Harrison JF, Liedtke RC, Liebman JF. The multiplicity of substituted acyclic carbenes and related molecules Journal of the American Chemical Society. 101: 7162-7168. DOI: 10.1021/Ja00518A006 |
0.47 |
|
| 1978 |
Mueller WB, Harrison JF, Wagner PJ. The electronic structure of the low-lying excited states of glyoxal Journal of the American Chemical Society. 100: 33-37. DOI: 10.1021/Ja00469A005 |
0.383 |
|
| 1978 |
MUELLER WB, HARRISON JF, WAGNER PJ. ChemInform Abstract: THE ELECTRONIC STRUCTURE OF THE LOW-LYING EXCITED STATES OF GLYOXAL Chemischer Informationsdienst. 9. DOI: 10.1002/Chin.197817041 |
0.385 |
|
| 1975 |
Harrison JF, Shalhoub G. Electronic structure of reactive intermediates. Carbonylnitrenes Journal of the American Chemical Society. 97: 4172-4176. DOI: 10.1021/Ja00848A003 |
0.376 |
|
| 1975 |
Harrison JF, Shalhoub G. The Electronic Structure Of Reactive Intermediates, Carbonylnitrenes Cheminform. 6. DOI: 10.1002/Chin.197541060 |
0.376 |
|
| 1973 |
Harrison JF, Eakers CW. Electronic structure of reactive intermediates. Nitrenium ions nitrenium(+), fluoronitrenium(+), and difluoronitrenium(+) Journal of the American Chemical Society. 95: 3467-3472. DOI: 10.1021/Ja00792A004 |
0.336 |
|
| 1973 |
Harrison JF, Eakers CW. Electronic Structure Of Reactive Intermediates, The Nitrenium Ions Nh2(+), Nhf(+), And Nf2(+) Cheminform. 4. DOI: 10.1002/Chin.197331001 |
0.327 |
|
| 1971 |
Harrison JF. An Ab Initio Study of the Zero Field Splitting Parameters of 3B1 Methylene Journal of Chemical Physics. 54: 5413-5417. DOI: 10.1063/1.1674842 |
0.314 |
|
| 1971 |
Nicely VA, Harrison JF. Geminal Product Wavefunctions: A General Formalism Journal of Chemical Physics. 54: 4363-4368. DOI: 10.1063/1.1674685 |
0.37 |
|
| 1971 |
Harrison JF. Electronic structure of carbenes. I. Methylene, fluoromethylene, and difluoromethylene Journal of the American Chemical Society. 93: 4112-4119. DOI: 10.1021/Ja00746A003 |
0.373 |
|
| 1969 |
Harrison JF, Allen LC. The electronic structure of methylene Journal of the American Chemical Society. 91: 807-823. DOI: 10.1021/Ja01032A004 |
0.571 |
|
| 1967 |
Harrison JF. On the Gaussian‐Lobe Representation of Atomic Orbitals Journal of Chemical Physics. 46: 1115-1118. DOI: 10.1063/1.1840776 |
0.329 |
|
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