366 Publications (Page 11 of 15)
1993
First-Principles Study of The Etching Reactions of HF and H2O with Si/SiO2 Surfaces
Raghavachari, Krishnan⋅Higashi, G. S⋅Chabal, Y. J and Trucks, G. W
MRS Online Proceedings Library, vol. 315, 19930101. | Journal Article
 
Fullerene derivatives. Comparative theoretical study of C60O and C60CH2
Raghavachari, Krishnan and Sosa, Carlos
Chemical Physics Letters, vol. 209, (no. 3), pp. 228, 1993-07-02. | Journal Article
 
Gaussian‐2 theory using reduced Mo/ller–Plesset orders
Curtiss, Larry A⋅Raghavachari, Krishnan and Pople, John A
The Journal of Chemical Physics, vol. 98, (no. 2), pp. 1298, 1993-01-15. | Journal Article
 
Imperfections on the chemically prepared, ideally H-terminated Si(111)-(1 × 1) surfaces
Jakob, P⋅Chabal, Y.J⋅Raghavachari, Krishnan⋅Dumas, P and Christman, S.B
Surface Science, vol. 285, (no. 3), pp. 258, 1993. | Journal Article
 
INFRARED SPECTROSCOPY OF H-TERMINATED SILICON SURFACES
CHABAL, Y.J⋅HARRIS, A.L⋅RAGHAVACHARI, KRISHNAN and TULLY, J.C
International Journal of Modern Physics B, vol. 7, (no. 4), pp. 1078, 19930214. | Journal Article
 
Isomers of C20. Dramatic effect of gradient corrections in density functional theory
Raghavachari, Krishnan⋅Strout, D.L⋅Odom, G.K⋅Scuseria, G.E⋅Pople, J.A⋅Johnson, B.G and Gill, P.M.W
Chemical Physics Letters, vol. 214, (no. 3-4), pp. 361, 1993-11-00. | Journal Article
 
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