360 Publications (Page 8 of 15)
2003
Atomic layer deposition ofAl2O3on H-passivated Si: Al(CH3)2OHsurface reactions withH/Si(100)−2×1
Halls, Mathew DRaghavachari, KrishnanFrank, 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. TWeldon, M. KChabal, 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 EOtsuki, JoeYamazaki, KatsutoshiSuka, AtsushiTakido, ToshioLovinger, 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 CCURTISS, 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 ARedfern, Paul CRaghavachari, 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, QNegro, EChen, GLaw, D. CLi, C. HHicks, 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, KrishnanFu, QChen, GLi, LLi, C HLaw, 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, HPluchery, OQueeney, KCaudano, YvesRaghavachari, KrishnanWeldon, MarkusChaban, EdChristman, StanKobayashi, H and Chabal, Y
Surface Science, 2002. | Journal Article
 
Optical properties of point defects in SiO2 from time-dependent density functional theory
Raghavachari, KrishnanRicci, 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. JRaghavachari, KrishnanZhang, 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 KQueeney, K.TEng Jr, JosephRaghavachari, 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 ARedfern, Paul CRaghavachari, 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 ARaghavachari, KrishnanRedfern, Paul CKedziora, 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, GeorgeRechtsteiner, GeorgeFelix, ChristianFelix, ChristianDuyne, RichardDuyne, RichardJarrold, MartinJarrold, MartinRaghavachari, KrishnanRaghavachari, KrishnanHampe, OliverHampe, OliverOtt, 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 ARechtsteiner, Gregory AFelix, ChristianFelix, ChristianOtt, Adina KOtt, Adina KHampe, OliverHampe, OliverVan Duyne, Richard PVan Duyne, Richard PJarrold, Martin FJarrold, Martin FRaghavachari, 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. TChabal, 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. MichaelKatz, Howard ELovinger, Andrew JWang, Bo-Cheng and Raghavachari, Krishnan
Chemistry of Materials, vol. 13, (no. 12), pp. 4691, 2001-12-00. | Journal Article
 
Water-saturated Si(100)-(2×1): Kinetic Monte Carlo simulations of thermal oxygen incorporation
Estève, AChabal, Y. JRaghavachari, KrishnanWeldon, M. KQueeney, K. T and Djafari Rouhani, M
Journal of Applied Physics, vol. 90, (no. 12), pp. 6005, 2001-12-15. | Journal Article
2000
Assessment of Gaussian-3 and density functional theories for a larger experimental test set
Curtiss, Larry ARaghavachari, KrishnanRedfern, Paul C and Pople, John A
The Journal of Chemical Physics, vol. 112, (no. 17), pp. 7383, 2000-05-00. | Journal Article