360 Publications (Page 15 of 15)
Effect of electron correlation of theoretical equilibrium geometries. 2. Comparison of third-order perturbation and configuration interaction results with experiment
DeFrees, Douglas JRaghavachari, KrishnanSchlegel, H. Bernhard and Pople, John A
Journal of the American Chemical Society, vol. 104, (no. 21), pp. 5580, 1982-10-00. | Journal Article
Electrical Conductivity in TCNQ Salts of Bis(4-dimethylaminophenylimino) sulfur and its Structural Analogues
Kaplan, Martin LHaddon, Robert CRaghavachari, KrishnanMenezes, ShaliniSchilling, Frederic CHauser, Jacques J and Marshall, James H
Molecular Crystals and Liquid Crystals, vol. 80, (no. 1), pp. 66, 2/1/1982. | Journal Article
Molecular orbital study of some protonated bases
Del Bene, Janet EFrisch, Michael JRaghavachari, Krishnan and Pople, John A
The Journal of Physical Chemistry, vol. 86, (no. 9), pp. 1535, 1982-04-00. | Journal Article
Planar cis-[10]annulene and azulene revisited
Haddon, Robert C and Raghavachari, Krishnan
Journal of the American Chemical Society, vol. 104, (no. 12), pp. 3518, 1982-06-00. | Journal Article
Primary event in the thermal dehydrochlorination of pristine poly(vinyl chloride): intermediacy of a cyclic chloronium ion
Raghavachari, KrishnanHaddon, Robert C and Starnes, William H
Journal of the American Chemical Society, vol. 104, (no. 19), pp. 5056, 1982-09-00. | Journal Article
The ground-state singlet potential surface for C2H4
Raghavachari, KrishnanFrisch, Michael JPople, John A and von R. Schleyer, Paul
Chemical Physics Letters, vol. 85, (no. 2), pp. 149, 1982-01-00. | Journal Article
The structure and stability of the acetylene dication
Pople, John AFrisch, Michael JRaghavachari, Krishnan and Schleyer, Paul V. R
Journal of Computational Chemistry, vol. 3, (no. 4), pp. 470, 1982-24. | Journal Article
Basis set dependence of correlation corrections to protonation energies
Frisch, Michael JDel Bene, Janet ERaghavachari, Krishnan and Pople, John A
Chemical Physics Letters, vol. 83, (no. 2), pp. 242, 1981-10-15. | Journal Article
Calculation of one-electron properties using limited configuration interaction techniques
Raghavachari, Krishnan and Pople, John A
International Journal of Quantum Chemistry, vol. 20, (no. 5), pp. 1071, 1981-11-00. | Journal Article
Molecular orbital theory of the electronic structure of organic molecules. 40. Structures and energies of C1-C3 carbocations including effects of electron correlation
Raghavachari, KrishnanWhiteside, Robert APople, John A and Schleyer, Paul V. R
Journal of the American Chemical Society, vol. 103, (no. 19), pp. 5657, 1981-09-00. | Journal Article