360 Publications (Page 11 of 15)
1993
Isomers of C78. Competition between electronic and steric factors
Raghavachari, Krishnan and McMichael Rohlfing, Celeste
Chemical Physics Letters, vol. 208, (no. 5-6), pp. 440, 1993-06-00. | Journal Article
 
Raman spectra of size-selected silicon clusters and comparison with calculated structures
Raghavachari, Krishnan⋅Jarrold, M. F⋅Honea, E. C⋅Sprenger, W. O⋅Murray, C. A⋅Ogura, A⋅Honea, E. C⋅Brown, W. L⋅Ogura, A.⋅Murray, C. A⋅Raghavachari, Krishnan⋅Sprenger, W. O⋅Jarrold, Martin F and Brown, W. L
Nature, vol. 366, (no. 6450), pp. 44, 19931104. | Journal Article
 
Step relaxation and surface stress at H-terminated vicinal Si(111)
Raghavachari, Krishnan⋅Jakob, P and Chabal, Y.J
Chemical Physics Letters, vol. 206, (no. 1), pp. 160, 1993. | Journal Article
 
Theoretical study of Ga4As4, Al4P4, and Mg4S4 clusters
Al‐Laham, Mohammad A and Raghavachari, Krishnan
The Journal of Chemical Physics, vol. 98, (no. 11), pp. 8776, 1993-06-00. | Journal Article
1992
Binding energies and electron affinities of small silicon clusters (n=2–5)
Curtiss, Larry A⋅Deutsch, Peter W and Raghavachari, Krishnan
The Journal of Chemical Physics, vol. 96, (no. 9), pp. 6872, 1992-05-00. | Journal Article
 
Defective Buckyballs: Alternative Structural Isomers of C60
Raghavachari, Krishnan and Rohlfing, Celeste M
MRS Online Proceedings Library, vol. 247, 19920101. | Journal Article
 
Electronic structures and photoelectron spectra of Si−3 and Si−4
McMichael Rohlfing, Celeste and Raghavachari, Krishnan
The Journal of Chemical Physics, vol. 96, (no. 3), pp. 2117, 1992-02-00. | Journal Article
 
FULLERENE DERIVATIVES: STRUCTURES AND STABILITIES OF C.sub.60O AND C.sub.70O
Raghavachari, Krishnan
International Journal of Modern Physics B, vol. 6, (no. 2324), pp. 3821, 19921201. | Journal Article
 
Ground state of C70O: oxygen bridging at the equatorial belt
Raghavachari, Krishnan and McMichael Rohlfing, Celeste
Chemical Physics Letters, vol. 197, (no. 4-5), pp. 498, 1992-09-00. | Journal Article
 
Ground state of C84: two almost isoenergetic isomers
Raghavachari, Krishnan
Chemical Physics Letters, vol. 190, (no. 5), pp. 400, 1992-03-00. | Journal Article
 
Imperfect fullerene structures: isomers of C60
Raghavachari, Krishnan and Rohlfing, Celeste McMichael
The Journal of Physical Chemistry, vol. 96, (no. 6), pp. 2466, 1992-03-00. | Journal Article
 
Kinetic model of the chemical etching of Si(111) surfaces by buffered HF solutions
Jakob, P⋅Chabal, Y.J⋅Raghavachari, Krishnan⋅Becker, R.S and Becker, A.J
Surface Science, vol. 275, (no. 3), pp. 413, 1992. | Journal Article
 
Sequential reactions of SiH+2 with silane: A theoretical study
Raghavachari, Krishnan
The Journal of Chemical Physics, vol. 96, (no. 6), pp. 4448, 1992-03-15. | Journal Article
 
Structural Isomers of C70
Raghavachari, Krishnan
MRS Online Proceedings Library, vol. 270, 19920101. | Journal Article
 
Structure of C60O: unexpected ground state geometry
Raghavachari, Krishnan
Chemical Physics Letters, vol. 195, (no. 2-3), pp. 224, 1992-07-00. | Journal Article
 
Structures of Si10. Are there conventionally bonded low-energy isomers?
Raghavachari, Krishnan and Rohlfing, Celeste McMichael
Chemical Physics Letters, vol. 198, (no. 5), pp. 525, 1992-10-00. | Journal Article
 
Theoretical study of small aluminum phosphide and magnesium sulfide clusters
Al‐Laham, Mohammad A⋅Trucks, Gary W and Raghavachari, Krishnan
The Journal of Chemical Physics, vol. 96, (no. 2), pp. 1149, 1992-01-15. | Journal Article
 
Validity of additivity approximations used in GAUSSIAN‐2 theory
Curtiss, Larry A⋅Carpenter, John E⋅Raghavachari, Krishnan and Pople, John A
The Journal of Chemical Physics, vol. 96, (no. 12), pp. 9034, 1992-06-15. | Journal Article
1991
Electronic structures of the negative ions Si−2 –Si−10: Electron affinities of small silicon clusters
Raghavachari, Krishnan and McMichael Rohlfing, Celeste
The Journal of Chemical Physics, vol. 94, (no. 5), pp. 3678, 1991-03-00. | Journal Article
 
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