366 Publications (Page 13 of 15)
1989
Highly correlated systems: Structure, binding energy and harmonic vibrational frequencies of ozone
Raghavachari, Krishnan⋅Trucks, Gary W⋅Pople, John A and Replogle, Eric
Chemical Physics Letters, vol. 158, (no. 3), pp. 212, 1989. | Journal Article
 
Hyperconjugative distortions and the cyclopentyl cation structure
Schleyer, Paul v. R⋅Carneiro, Jose W. de M⋅Koch, Wolfram and Raghavachari, Krishnan
Journal of the American Chemical Society, vol. 111, (no. 14), pp. 5477, 1989-07-00. | Journal Article
 
Lithium bond: H3N---LiOH and H2O---LiNH2 complexes and their interconversions
Sapse, Anne-Marie and Raghavachari, Krishnan
Chemical Physics Letters, vol. 158, (no. 3-4), pp. 216, 1989-06-00. | Journal Article
 
Quadratic configuration interaction: Reply to comment by Paldus, Cizek, and Jeziorski
Pople, John A⋅Head‐Gordon, Martin and Raghavachari, Krishnan
The Journal of Chemical Physics, vol. 90, (no. 8), pp. 4636, 1989-04-15. | Journal Article
 
Radical cations of hexamethylprismane: ab initio calculations and nuclear spin polarization results
Raghavachari, Krishnan⋅Raghavachari, Krishnan⋅Roth, Heinz D and Roth, Heinz D
Journal of the American Chemical Society, vol. 111, (no. 18), pp. 7136, 1989-08-00. | Journal Article
 
Size-consistent Brueckner theory limited to double substitutions
Handy, Nicholas C⋅Pople, John A⋅Head-Gordon, Martin⋅Raghavachari, Krishnan and Trucks, Gary W
Chemical Physics Letters, vol. 164, (no. 2), pp. 192, 1989. | Journal Article
 
Theoretical studies on carbon and silicon clusters: comparison of the structures and stabilities of neutral and ionic forms
Raghavachari, Krishnan
Zeitschrift f r Physik D Atoms, Molecules and Clusters, vol. 12, (no. 1-4), pp. 64, 1989-03-00. | Journal Article
1988
Bonding and stabilities of small silicon clusters: A theoretical study of Si7–Si10
Raghavachari, Krishnan and Rohlfing, Celeste McMichael
The Journal of Chemical Physics, vol. 89, (no. 4), pp. 2234, 1988-08-15. | Journal Article
 
Corrections to correlations energies beyond fourth order moller-plesset (MP4) perturbation theory. Contributions of single, double, and triple substitutions
Pople, J. A⋅Head-Gordon, M and Raghavachari, Krishnan
International Journal of Quantum Chemistry, vol. 34, (no. S22), pp. 382, 1988-03-12. | Journal Article
 
Fragmentation of small silicon clusters
Raghavachari, Krishnan and Rohlfing, Celeste McMichael
Chemical Physics Letters, vol. 143, (no. 5), pp. 434, 1988. | Journal Article
 
Methyllithium and its oligomers. Structural and energetic relationships
Kaufmann, Elmar⋅Raghavachari, Krishnan⋅Reed, Alan E and Schleyer, Paul V. R
Organometallics, vol. 7, (no. 7), pp. 1607, 1988-07-00. | Journal Article
 
Reply to ‘‘Accuracy of ab initio C–H bond length differences and their correlation with isolated C–H stretching frequencies’’
Aljibury, A. L⋅Snyder, R. G⋅Strauss, Herbert L and Raghavachari, Krishnan
The Journal of Chemical Physics, vol. 88, (no. 11), pp. 7257, 1988-06-00. | Journal Article
 
Sequential clustering reactions of Si+ with silane: A theoretical study of the reaction mechanisms
Raghavachari, Krishnan
The Journal of Chemical Physics, vol. 88, (no. 3), pp. 1702, 1988-02-00. | Journal Article
 
Structures of lithium amide hexamers: Reply to comments by Clegg, Snaith, and Wade
Raghavachari, Krishnan⋅Sapse, Anne Marie and Jain, Duli C
Inorganic Chemistry, vol. 27, (no. 21), pp. 3863, 1988-10-00. | Journal Article
 
Theoretical study of the reaction mechanism for the interaction of silicon+ with methylsilane
Raghavachari, Krishnan
The Journal of Physical Chemistry, vol. 92, (no. 22), pp. 6289, 1988-11-00. | Journal Article
1987
Binary association complexes of lithium monohydride, beryllium dihydride, and borane. Relative isomer stabilities and barrier heights for their interconversion: energy barriers in the dimerization reactions
DeFrees, D. J⋅Raghavachari, Krishnan⋅Schlegel, H. B⋅Pople, J. A and Schleyer, P. v. R
The Journal of Physical Chemistry, vol. 91, (no. 7), pp. 1864, 1987-03-00. | Journal Article
 
Clusters of ionic molecules: octahedral vs. planar ring structures of lithium fluoride, lithium hydroxide and lithium amide hexamers
Raghavachari, Krishnan⋅Sapse, Anne Marie and Jain, Duli C
Inorganic Chemistry, vol. 26, (no. 16), pp. 2588, 1987-08-00. | Journal Article
 
Covalent Group IV Atomic Clusters
BROWN, W.⋅FREEMAN, R.⋅RAGHAVACHARI, KRISHNAN and SCHLUTER, M
Science, vol. 235, (no. 4791), pp. 865, 19870220. | Journal Article
 
Quadratic configuration interaction. A general technique for determining electron correlation energies
Pople, John A⋅Head‐Gordon, Martin and Raghavachari, Krishnan
The Journal of Chemical Physics, vol. 87, (no. 10), pp. 5975, 1987-11-15. | Journal Article
 
Structure, stability, and fragmentation of small carbon clusters
Raghavachari, Krishnan and Binkley, J. S
The Journal of Chemical Physics, vol. 87, (no. 4), pp. 2197, 1987-08-15. | Journal Article
 
The harmonic force field of propane
Gough, K. M⋅Murphy, W. F and Raghavachari, Krishnan
The Journal of Chemical Physics, vol. 87, (no. 6), pp. 3340, 1987-09-15. | Journal Article
1986
Electronic excitation and .pi.-electron interaction in borazine
Doering, John P⋅Gedanken, Aharon⋅Hitchock, A. P⋅Fischer, P⋅Moore, John⋅Olthoff, J. K⋅Tossell, J⋅Raghavachari, Krishnan and Robin, M. B
Journal of the American Chemical Society, vol. 108, (no. 13), pp. 3608, 1986-06-00. | Journal Article
 
Electronic structure and bonding in icosahedral C60
Haddon, R.C⋅Brus, L.E and Raghavachari, Krishnan
Chemical Physics Letters, vol. 125, (no. 5-6), pp. 464, 1986-04-00. | Journal Article
 
Gas-phase nitrosation of benzene: Theoretical investigations
Raghavachari, Krishnan⋅Reents, W. D and Haddon, R. C
Journal of Computational Chemistry, vol. 7, (no. 3), pp. 273, 1986-06-00. | Journal Article
 
Rehybridization and π-orbital alignment: the key to the existence of spheroidal carbon clusters
Haddon, R.C⋅Brus, L.E and Raghavachari, Krishnan
Chemical Physics Letters, vol. 131, (no. 3), pp. 169, 1986. | Journal Article