360 Publications (Page 15 of 15)
1982
Effect of electron correlation of theoretical equilibrium geometries. 2. Comparison of third-order perturbation and configuration interaction results with experimentDeFrees, Douglas J⋅Raghavachari, Krishnan⋅Schlegel, H. Bernhard and Pople, John AJournal of the American Chemical Society, vol. 104, (no. 21), pp. 5580, 1982-10-00.
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Electrical Conductivity in TCNQ Salts of Bis(4-dimethylaminophenylimino) sulfur and its Structural AnaloguesKaplan, Martin L⋅Haddon, Robert C⋅Raghavachari, Krishnan⋅Menezes, Shalini⋅Schilling, Frederic C⋅Hauser, Jacques J and Marshall, James HMolecular Crystals and Liquid Crystals, vol. 80, (no. 1), pp. 66, 2/1/1982.
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Molecular orbital study of some protonated basesDel Bene, Janet E⋅Frisch, Michael J⋅Raghavachari, Krishnan and Pople, John AThe Journal of Physical Chemistry, vol. 86, (no. 9), pp. 1535, 1982-04-00.
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Planar cis-[10]annulene and azulene revisitedHaddon, Robert C and Raghavachari, KrishnanJournal of the American Chemical Society, vol. 104, (no. 12), pp. 3518, 1982-06-00.
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Primary event in the thermal dehydrochlorination of pristine poly(vinyl chloride): intermediacy of a cyclic chloronium ionRaghavachari, Krishnan⋅Haddon, Robert C and Starnes, William HJournal of the American Chemical Society, vol. 104, (no. 19), pp. 5056, 1982-09-00.
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The ground-state singlet potential surface for C2H4Raghavachari, Krishnan⋅Frisch, Michael J⋅Pople, John A and von R. Schleyer, PaulChemical Physics Letters, vol. 85, (no. 2), pp. 149, 1982-01-00.
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The structure and stability of the acetylene dicationPople, John A⋅Frisch, Michael J⋅Raghavachari, Krishnan and Schleyer, Paul V. RJournal of Computational Chemistry, vol. 3, (no. 4), pp. 470, 1982-24.
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1981
Basis set dependence of correlation corrections to protonation energiesFrisch, Michael J⋅Del Bene, Janet E⋅Raghavachari, Krishnan and Pople, John AChemical Physics Letters, vol. 83, (no. 2), pp. 242, 1981-10-15.
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Calculation of one-electron properties using limited configuration interaction techniquesRaghavachari, Krishnan and Pople, John AInternational Journal of Quantum Chemistry, vol. 20, (no. 5), pp. 1071, 1981-11-00.
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Molecular orbital theory of the electronic structure of organic molecules. 40. Structures and energies of C1-C3 carbocations including effects of electron correlationRaghavachari, Krishnan⋅Whiteside, Robert A⋅Pople, John A and Schleyer, Paul V. RJournal of the American Chemical Society, vol. 103, (no. 19), pp. 5657, 1981-09-00.
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