362 Publications (Page 8 of 15)
2004
Quantum chemical studies of semiconductor surface chemistry using cluster models
Raghavachari, Krishnan and Halls, Mathew D
Molecular Physics, vol. 102, (no. 4), pp. 393, 2/20/2004. | Journal Article
2003
A comparison of stable carbonyls formed in the gas-phase reaction between group 10 atomic anions and methanol or methoxy radicals: Anion photoelectron spectroscopy and density functional theory calculations on HNiCO−, PdCO−, and PtCO
Chatterjee, Bappaditya⋅Chatterjee, Bappaditya⋅Akin, F. Ahu⋅Akin, F. Ahu⋅Jarrold, Caroline Chick⋅Jarrold, Caroline Chick⋅Raghavachari, Krishnan and Raghavachari, Krishnan
The Journal of Chemical Physics, vol. 119, (no. 20), pp. 10599, 2003-11-22. | Journal Article
 
Atomic layer deposition ofAl2O3on H-passivated Si: Al(CH3)2OHsurface reactions withH/Si(100)−2×1
Halls, Mathew D⋅Raghavachari, Krishnan⋅Frank, Martin M and Chabal, Yves J
Physical Review B, vol. 68, (no. 16), 2003-10-00. | Journal Article
 
Atomic layer deposition of Al2O3 on H-passivated Si. I. Initial surface reaction pathways with H/Si(100)-2×1
Halls, Mathew D and Raghavachari, Krishnan
The Journal of Chemical Physics, vol. 118, (no. 22), pp. 10226, 2003-06-08. | Journal Article
 
The microscopic origin of optical phonon evolution during water oxidation of Si(100)
Queeney, K. T⋅Weldon, M. K⋅Chabal, Y. J and Raghavachari, Krishnan
The Journal of Chemical Physics, vol. 119, (no. 4), pp. 2313, 2003-07-22. | Journal Article
 
Unsymmetricaln-Channel Semiconducting Naphthalenetetracarboxylic Diimides Assembled via Hydrogen Bonds
Katz, Howard E⋅Otsuki, Joe⋅Yamazaki, Katsutoshi⋅Suka, Atsushi⋅Takido, Toshio⋅Lovinger, Andrew J and Raghavachari, Krishnan
Chemistry Letters, vol. 32, (no. 6), pp. 509, 2003-06-00. | Journal Article
2002
Applications of infrared absorption spectroscopy to the microelectronics industry
Chabal, Y.J and Raghavachari, Krishnan
Surface Science, vol. 502, pp. 50, 2002. | Journal Article
 
Assessment of parametrized core correlation schemes in Gaussian-3 theory
REDFERN, PAUL C⋅CURTISS, LARRY A and Raghavachari, Krishnan
Molecular Physics, vol. 100, (no. 6), pp. 790, 3/20/2002. | Journal Article
 
Gaussian-3 and related methods for accurate thermochemistry
Curtiss, Larry A and Raghavachari, Krishnan
Theoretical Chemistry Accounts, vol. 108, (no. 2), pp. 70, 20020800. | Journal Article
 
Gaussian-3X (G3X) theory using coupled cluster and Brueckner energies
Curtiss, Larry A⋅Redfern, Paul C⋅Raghavachari, Krishnan and Pople, John A
Chemical Physics Letters, vol. 359, (no. 5), pp. 396, 2002. | Journal Article
 
Hydrogen adsorption on phosphorus-rich(2×1)indium phosphide (001)
Fu, Q⋅Negro, E⋅Chen, G⋅Law, D. C⋅Li, C. H⋅Hicks, R. F and Raghavachari, Krishnan
Physical Review B, vol. 65, (no. 7), 2002-02-00. | Journal Article
 
Hydrogen adsorption on the indium-rich indium phosphide (001) surface: a novel way to produce bridging In-H-In bonds.
Raghavachari, Krishnan⋅Fu, Q⋅Chen, G⋅Li, L⋅Li, C H⋅Law, D C and Hicks, Robert
Journal of the American Chemical Society, vol. 124, (no. 50), pp. 15119-24, 2002/Dec/18. | Journal Article
 
In-Situ Vibrational Study of SiO2/liquid Interface
Fukidome, H⋅Pluchery, O⋅Queeney, K⋅Caudano, Yves⋅Raghavachari, Krishnan⋅Weldon, Markus⋅Chaban, Ed⋅Christman, Stan⋅Kobayashi, H and Chabal, Y
Surface Science, 2002. | Journal Article
 
Optical properties of point defects in SiO2 from time-dependent density functional theory
Raghavachari, Krishnan⋅Ricci, Davide and Pacchioni, Gianfranco
The Journal of Chemical Physics, vol. 116, (no. 2), pp. 831, 2002-01-08. | Journal Article
 
Silanone(Si=O)on Si(100): intermediate for initial silicon oxidation
Chabal, Y. J⋅Raghavachari, Krishnan⋅Zhang, X and Garfunkel, E
Physical Review B, vol. 66, (no. 16), 2002-10-00. | Journal Article
 
The surface science of semiconductor processing: gate oxides in the ever-shrinking transistor
Weldon, Marcus K⋅Queeney, K.T⋅Eng Jr, Joseph⋅Raghavachari, Krishnan and Chabal, Yves J
Surface Science, vol. 500, (no. 1-3), pp. 878, 2002-03-10. | Journal Article
2001
ChemInform Abstract: First-Principles Quantum Chemical Investigations of Silicon Oxidation
Raghavachari, Krishnan
ChemInform, vol. 32, (no. 50), pp. no, 2001-12-11. | Journal Article
 
Gaussian-3X (G3X) theory: Use of improved geometries, zero-point energies, and Hartree–Fock basis sets
Curtiss, Larry A⋅Redfern, Paul C⋅Raghavachari, Krishnan and Pople, John A
The Journal of Chemical Physics, vol. 114, (no. 1), pp. 108, 2001-00-00. | Journal Article
 
On Comparison of Experimental Thermochemical Data with G3 Theory
Curtiss, Larry A⋅Raghavachari, Krishnan⋅Redfern, Paul C⋅Kedziora, Gary S and Pople, John A
The Journal of Physical Chemistry A, vol. 105, (no. 1), pp. 228, 2001-01-00. | Journal Article
 
Photoabsorption of dioxasilyrane and silanone groups at the surface of silica
Raghavachari, Krishnan and Pacchioni, Gianfranco
The Journal of Chemical Physics, vol. 114, (no. 10), pp. 4657, 2001-00-00. | Journal Article
 
Raman and fluorescence spectra of size-selected, matrix-isolated C14 and C18 neutral carbon clusters
Rechtsteiner, George⋅Rechtsteiner, George⋅Felix, Christian⋅Felix, Christian⋅Duyne, Richard⋅Duyne, Richard⋅Jarrold, Martin⋅Jarrold, Martin⋅Raghavachari, Krishnan⋅Raghavachari, Krishnan⋅Hampe, Oliver⋅Hampe, Oliver⋅Ott, Adina and Ott, Adina
Journal of Physical Chemistry A, vol. 105, (no. 13), pp. 3029, 20010405. | Journal Article
 
Raman and Fluorescence Spectra of Size-Selected, Matrix-Isolated C14and C18Neutral Carbon Clusters
Rechtsteiner, Gregory A⋅Rechtsteiner, Gregory A⋅Felix, Christian⋅Felix, Christian⋅Ott, Adina K⋅Ott, Adina K⋅Hampe, Oliver⋅Hampe, Oliver⋅Van Duyne, Richard P⋅Van Duyne, Richard P⋅Jarrold, Martin F⋅Jarrold, Martin F⋅Raghavachari, Krishnan and Raghavachari, Krishnan
The Journal of Physical Chemistry A, vol. 105, (no. 13), pp. 3033, 2001-04-00. | Journal Article
 
Role of Interdimer Interactions in NH3 Dissociation on Si(100)-(2×1)
Chabal, Y.⋅Queeney, K. and Raghavachari, Krishnan
2001. | Journal Article
 
Role of Interdimer Interactions inNH3Dissociation onSi(100)−(2×1)
Queeney, K. T⋅Chabal, Y. J and Raghavachari, Krishnan
Physical Review Letters, vol. 86, (no. 6), pp. 1049, 2001-02-00. | Journal Article
 
Thiophene-Phenylene and Thiophene-Thiazole Oligomeric Semiconductors with High Field-Effect Transistor On/Off Ratios
Hong, X. Michael⋅Katz, Howard E⋅Lovinger, Andrew J⋅Wang, Bo-Cheng and Raghavachari, Krishnan
Chemistry of Materials, vol. 13, (no. 12), pp. 4691, 2001-12-00. | Journal Article