366 Publications (Page 12 of 15)
1991
Gaussian‐2 theory for molecular energies of first‐ and second‐row compounds
Curtiss, Larry A⋅Raghavachari, Krishnan⋅Trucks, Gary W and Pople, John A
The Journal of Chemical Physics, vol. 94, (no. 11), pp. 7230, 1991-06-00. | Journal Article
 
Harmonic force field and Raman scattering intensity parameters of n-butane
Murphy, W. F⋅Fernandez-Sanchez, J. M and Raghavachari, Krishnan
The Journal of Physical Chemistry, vol. 95, (no. 3), pp. 1139, 1991-02-00. | Journal Article
 
Lineshape analysis of the SiH stretching mode of the ideally H-terminated Si(111) surface: the role of dynamical dipole coupling
Jakob, P⋅Chabal, Y.L and Raghavachari, Krishnan
Chemical Physics Letters, vol. 187, (no. 3), pp. 333, 1991. | Journal Article
 
Sequential clustering reactions of SiH+ with silane: An ab initio molecular orbital study
Raghavachari, Krishnan
The Journal of Chemical Physics, vol. 95, (no. 10), pp. 7388, 1991-11-15. | Journal Article
 
Structures and vibrational frequencies of carbon molecules (C60, C70, and C84)
Raghavachari, Krishnan and Rohlfing, Cleste McMichael
The Journal of Physical Chemistry, vol. 95, (no. 15), pp. 5773, 1991-07-00. | Journal Article
 
Theoretical study of Si2Hn (n=0–6) and Si2H+n (n=0–7): Appearance potentials, ionization potentials, and enthalpies of formation
Curtiss, Larry A⋅Raghavachari, Krishnan⋅Deutsch, Peter W and Pople, John A
The Journal of Chemical Physics, vol. 95, (no. 4), pp. 2444, 1991-08-15. | Journal Article
 
Theoretical study of small gallium arsenide clusters
Al-Laham, Mohammad A and Raghavachari, Krishnan
Chemical Physics Letters, vol. 187, (no. 1), pp. 20, 1991. | Journal Article
 
Theoretical study of the reaction mechanism for the interaction of Si+ with disilane
Al‐Laham, Mohammad A and Raghavachari, Krishnan
The Journal of Chemical Physics, vol. 95, (no. 4), pp. 2567, 1991-08-15. | Journal Article
1990
A theoretical study of small silicon clusters using an effective core potential
Rohlfing, Celeste McMichael and Raghavachari, Krishnan
Chemical Physics Letters, vol. 167, (no. 6), pp. 565, 1990. | Journal Article
 
Fifth order Moeller-Plesset perturbation theory: comparison of existing correlation methods and implementation of new methods correct to fifth order
Raghavachari, Krishnan⋅Pople, John A⋅Replogle, Eric S and Head-Gordon, Martin
The Journal of Physical Chemistry, vol. 94, (no. 14), pp. 5586, 1990-07-00. | Journal Article
 
Gaussian‐1 theory of molecular energies for second‐row compounds
Curtiss, Larry A⋅Jones, Christopher⋅Trucks, Gary W⋅Raghavachari, Krishnan and Pople, John A
The Journal of Chemical Physics, vol. 93, (no. 4), pp. 2545, 1990-08-15. | Journal Article
 
Ideal hydrogen termination of the Si (111) surface
Higashi, G. S⋅Chabal, Y. J⋅Trucks, G. W and Raghavachari, Krishnan
Applied Physics Letters, vol. 56, (no. 7), pp. 658, 1990-02-12. | Journal Article
 
Mechanism of surface selectivity in aluminum chemical vapor deposition
Higashi, G. S⋅Raghavachari, Krishnan and Steigerwald, M. L
Journal of Vacuum Science & Technology B: Microelectronics and Nanometer Structures, vol. 8, (no. 1), pp. 105, 19900100. | Journal Article
 
Molecular orbital studies on cyclic sulfur clusters: S6S12
Raghavachari, Krishnan⋅Rohlfing, Celeste McMichael and Binkley, John Stephen
International Journal of Mass Spectrometry and Ion Processes, vol. 102, pp. 329, 1990-12-00. | Journal Article
 
Reply to comment on: Coupled cluster approach or quadratic configuration interaction?
Raghavachari, Krishnan⋅Head‐Gordon, Martin and Pople, John A
The Journal of Chemical Physics, vol. 93, (no. 2), pp. 1487, 1990-07-15. | Journal Article
 
Size-consistent Brueckner theory limited to double and triple substitutions
Raghavachari, Krishnan⋅Pople, John A⋅Replogle, Eric S⋅Head-Gordon, Martin and Handy, Nicholas C
Chemical Physics Letters, vol. 167, (no. 1), pp. 121, 1990. | Journal Article
 
Structure of the 2-butyl cation. Hydrogen bridged or methyl bridged?
Carneiro, Jose Walkimar de M⋅Schleyer, Paul v. R⋅Koch, Wolfram and Raghavachari, Krishnan
Journal of the American Chemical Society, vol. 112, (no. 10), pp. 4066, 1990-05-00. | Journal Article
 
Structures and stabilities of sulfur clusters
Raghavachari, Krishnan⋅Rohlfing, Celeste McMichael and Binkley, John Stephen
The Journal of Chemical Physics, vol. 93, (no. 8), pp. 5874, 1990-10-15. | Journal Article
 
Theoretical studies of clustering reactions. Sequential reactions of SiH+3 with silane
Raghavachari, Krishnan
The Journal of Chemical Physics, vol. 92, (no. 1), pp. 465, 1990-01-00. | Journal Article
 
Theoretical study of C3, C−3 and C+3
Raghavachari, Krishnan
Chemical Physics Letters, vol. 171, (no. 3), pp. 253, 1990-08-00. | Journal Article
1989
A fifth-order perturbation comparison of electron correlation theories
Raghavachari, Krishnan⋅Trucks, Gary W⋅Pople, John A and Head-Gordon, Martin
Chemical Physics Letters, vol. 157, (no. 6), pp. 483, 1989. | Journal Article
 
Gaussian‐1 theory: A general procedure for prediction of molecular energies
Pople, John A⋅Head‐Gordon, Martin⋅Fox, Douglas J⋅Raghavachari, Krishnan and Curtiss, Larry A
The Journal of Chemical Physics, vol. 90, (no. 10), pp. 5629, 1989-05-15. | Journal Article
 
Highly correlated systems. Excitation energies of first row transition metals Sc–Cu
Raghavachari, Krishnan and Trucks, Gary W
The Journal of Chemical Physics, vol. 91, (no. 2), pp. 1065, 1989-07-15. | Journal Article
 
Highly correlated systems. Ionization energies of first row transition metals Sc–Zn
Raghavachari, Krishnan and Trucks, Gary W
The Journal of Chemical Physics, vol. 91, (no. 4), pp. 2460, 1989-08-15. | Journal Article
 
Highly correlated systems. Structure and harmonic force field of F2O2
Raghavachari, Krishnan and Trucks, Gary W
Chemical Physics Letters, vol. 162, (no. 6), pp. 516, 1989-10-00. | Journal Article