360 Publications (Page 14 of 15)
1985
Small elemental clusters: theoretical study of P, P2, P4 and P8
Raghavachari, Krishnan⋅Haddon, R.C and Binkley, J.S
Chemical Physics Letters, vol. 122, (no. 3), pp. 224, 1985-12-00. | Journal Article
 
The importance of f functions and 3d electron correlation effects in the bonding in diatomic copper (Cu2)
Sunil, K. K⋅Jordan, K. D and Raghavachari, Krishnan
The Journal of Physical Chemistry, vol. 89, (no. 3), pp. 459, 1985-01-00. | Journal Article
 
Theoretical studies of lithium fluoride, lithium hydroxide, and lithium amide tetramers
Sapse, Anne Marie⋅Raghavachari, Krishnan⋅Schleyer, Paul von Rague and Kaufmann, Elmar
Journal of the American Chemical Society, vol. 107, (no. 23), pp. 6486, 1985-11-00. | Journal Article
 
Theoretical study of small silicon clusters: Cyclic ground state structure of Si3
Raghavachari, Krishnan
The Journal of Chemical Physics, vol. 83, (no. 7), pp. 3525, 1985-10-00. | Journal Article
 
Theoretical study of the bonding in CuH and Cu2
Raghavachari, Krishnan⋅Sunil, K. K and Jordan, K. D
The Journal of Chemical Physics, vol. 83, (no. 9), pp. 4640, 1985-11-00. | Journal Article
1984
Ab initio quantum chemical study of the dimerization of silicon monoxide
Snyder, Lawrence C and Raghavachari, Krishnan
The Journal of Chemical Physics, vol. 80, (no. 10), pp. 5079, 1984-05-15. | Journal Article
 
Photoinduced electron transfer reactions. Evidence for two different radical cations of hexamethyl(Dewar benzene)
Roth, Heinz D⋅Roth, Heinz D⋅Schilling, Marcia L. M⋅Schilling, Marcia L. M⋅Raghavachari, Krishnan and Raghavachari, Krishnan
Journal of the American Chemical Society, vol. 106, (no. 1), pp. 255, 1984-01-00. | Journal Article
 
Rotational potential surface for alkanes: Basis set and electron correlation effects on the conformations of n‐butane
Raghavachari, Krishnan
The Journal of Chemical Physics, vol. 81, (no. 3), pp. 1388, 1984-08-00. | Journal Article
 
Surface Infrared Study of Si(100)-(2×1)H
Chabal, Y. J and Raghavachari, Krishnan
Physical Review Letters, vol. 53, (no. 3), pp. 285, 1984-07-00. | Journal Article
 
Theoretical study of silylene insertion into nitrogen-hydrogen, oxygen-hydrogen, fluorine-hydrogen, phosphorus-hydrogen, sulfur-hydrogen, and chlorine-hydrogen bonds
Raghavachari, Krishnan⋅Chandrasekhar, Jayaraman⋅Gordon, Mark S and Dykema, Ken
Journal of the American Chemical Society, vol. 106, (no. 20), pp. 5859, 1984-10-00. | Journal Article
 
Theoretical study of SN2 reactions involving cationic substrates
Raghavachari, Krishnan⋅Chandrasekhar, Jayaraman and Burnier, R. C
Journal of the American Chemical Society, vol. 106, (no. 11), pp. 3128, 1984-05-00. | Journal Article
 
Theoretical study of substituent effects on CH stretching frequencies
Raghavachari, Krishnan
The Journal of Chemical Physics, vol. 81, (no. 6), pp. 2722, 1984-09-15. | Journal Article
1983
A molecular orbital study of some lithium ion complexes
Del Bene, Janet E⋅Frisch, Michael J⋅Raghavachari, Krishnan⋅Pople, John A and Schleyer, Paul v. R
The Journal of Physical Chemistry, vol. 87, (no. 1), pp. 78, 1983-01-00. | Journal Article
 
Comprehensive theoretical study of isomers and rearrangement barriers of even-electron polyatomic molecules HmABHn (A, B = carbon, nitrogen, oxygen, and fluorine)
Pople, John A⋅Raghavachari, Krishnan⋅Frisch, Michael J⋅Binkley, J. Stephen and Schleyer, Paul V. R
Journal of the American Chemical Society, vol. 105, (no. 21), pp. 6399, 1983-10-00. | Journal Article
 
Effects of electron correlation on the energies of 2-norbornyl cation structures. Evaluation of the nonclassical stabilization energy
Raghavachari, Krishnan⋅Haddon, Robert C⋅Schleyer, Paul v. R and Schaefer, Henry F
Journal of the American Chemical Society, vol. 105, (no. 18), pp. 5917, 1983-09-00. | Journal Article
 
Naphthalene and azulene: Theoretical comparison
Haddon, R. C and Raghavachari, Krishnan
The Journal of Chemical Physics, vol. 79, (no. 2), pp. 1094, 1983-07-15. | Journal Article
 
Theoretical structure of the heptahydrodiborate(1-) (B2H7-) anion
Raghavachari, Krishnan⋅Schleyer, Paul von Rague and Spitznagel, Guenther W
Journal of the American Chemical Society, vol. 105, (no. 18), pp. 5918, 1983-09-00. | Journal Article
 
Theoretical studies in the norbornadiene-quadricyclane system
Raghavachari, Krishnan⋅Raghavachari, Krishnan⋅Haddon, Robert C⋅Haddon, Robert C⋅Roth, Heinz D and Roth, Heinz D
Journal of the American Chemical Society, vol. 105, (no. 10), pp. 3114, 1983-05-00. | Journal Article
 
Theoretical study of conformational processes in sulfur diimides
Raghavachari, Krishnan and Haddon, Robert C
The Journal of Physical Chemistry, vol. 87, (no. 8), pp. 1312, 1983-04-00. | Journal Article
 
Theoretical study of Jahn–Teller distortions in C6H+6 and C6F+6
Raghavachari, Krishnan⋅Haddon, R. C⋅Miller, Terry A and Bondybey, V. E
The Journal of Chemical Physics, vol. 79, (no. 3), pp. 1395, 1983-08-00. | Journal Article
 
Unusual low-energy isomers for simple radical cations
Frisch, Michael J⋅Raghavachari, Krishnan⋅Pople, John A⋅Bouma, Willem J and Radom, Leo
Chemical Physics, vol. 75, (no. 3), pp. 329, 1983. | Journal Article
1982
Ab initio potential energy curve for CH bond dissociation in methane
Duchovic, Ronald J⋅Hase, William L⋅Bernhard Schlegel, H⋅Frisch, Michael J and Raghavachari, Krishnan
Chemical Physics Letters, vol. 89, (no. 2), pp. 125, 1982. | Journal Article
 
Ab initio study of silylene insertion into oxygen-hydrogen bonds. Stability of zwitterionic intermediates
Raghavachari, Krishnan⋅Chandrasekhar, Jayaraman and Frisch, Michael J
Journal of the American Chemical Society, vol. 104, (no. 13), pp. 3781, 1982-06-00. | Journal Article
 
Anabinitiostudy of the harmonic force field and vibrational frequencies of thionylimide: Basis set and electron correlation effects
Raghavachari, Krishnan
The Journal of Chemical Physics, vol. 76, (no. 7), pp. 3672, 1982-04-00. | Journal Article
 
A theoretical study of the reaction surface for the H2O–Li2O system
Raghavachari, Krishnan
The Journal of Chemical Physics, vol. 76, (no. 11), pp. 5426, 1982-06-00. | Journal Article