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Results: 1-25/40
Authors:
STEFANOV BB
GUREVICH AB
WELDON MK
RAGHAVACHARI K
CHABAL YJ
Citation: Bb. Stefanov et al., SILICON EPOXIDE - UNEXPECTED INTERMEDIATE DURING SILICON-OXIDE FORMATION, Physical review letters, 81(18), 1998, pp. 3908-3911
Authors:
CURTISS LA
RAGHAVACHARI K
REDFERN PC
RASSOLOV V
POPLE JA
Citation: La. Curtiss et al., GAUSSIAN-3 (G3) THEORY FOR MOLECULES CONTAINING FIRST-ROW AND 2ND-ROWATOMS, The Journal of chemical physics, 109(18), 1998, pp. 7764-7776
Authors:
MONTGOMERY JA
FRISCH AMJ
OCHTERSKI JW
PETERSSON GA
RAGHAVACHARI K
ZAKRZEWSKI VG
Citation: Ja. Montgomery et al., COMMENT ON ASSESSMENT OF COMPLETE BASIS-SET METHODS FOR CALCULATION OF ENTHALPIES OF FORMATION [J. CHEM. PHYS. 188, 692 (1998)], The Journal of chemical physics, 109(15), 1998, pp. 6505-6506
Authors:
CURTISS LA
REDFERN PC
RAGHAVACHARI K
POPLE JA
Citation: La. Curtiss et al., ASSESSMENT OF GAUSSIAN-2 AND DENSITY-FUNCTIONAL THEORIES FOR THE COMPUTATION OF IONIZATION-POTENTIALS AND ELECTRON-AFFINITIES, The Journal of chemical physics, 109(1), 1998, pp. 42-55
Authors:
ENG J
RAGHAVACHARI K
STRUCK LM
CHABAL YJ
BENT BE
BANASZAKHOLL MM
MCFEELY FR
MICHAELS AM
FLYNN GW
CHRISTMAN SB
CHABAN EE
WILLIAMS GP
RADERMACHER K
MANTL S
Citation: J. Eng et al., AN INFRARED STUDY OF H8SI8O12 CLUSTER ADSORPTION ON SI(100) SURFACES, The Journal of chemical physics, 108(20), 1998, pp. 8680-8688
Authors:
CURTISS LA
RAGHAVACHARI K
REDFERN PC
STEFANOV BB
Citation: La. Curtiss et al., ASSESSMENT OF COMPLETE BASIS-SET METHODS FOR CALCULATION OF ENTHALPIES OF FORMATION, The Journal of chemical physics, 108(2), 1998, pp. 692-697
Authors:
STEFANOV BB
RAGHAVACHARI K
Citation: Bb. Stefanov et K. Raghavachari, PATHWAYS FOR INITIAL WATER-INDUCED OXIDATION OF SI(100), Applied physics letters, 73(6), 1998, pp. 824-826
Authors:
STEFANOV BB
RAGHAVACHARI K
Citation: Bb. Stefanov et K. Raghavachari, PHOTOABSORPTION OF THE NEUTRAL OXYGEN VACANCY IN SILICATE AND GERMANOSILICATE GLASSES - FIRST-PRINCIPLES CALCULATIONS, Physical review. B, Condensed matter, 56(9), 1997, pp. 5035-5038
Authors:
ZHANG BL
RAGHAVACHARI K
Citation: Bl. Zhang et K. Raghavachari, PHOTOABSORPTION AND PHOTOLUMINESCENCE OF DIVALENT DEFECTS IN SILICATEAND GERMANOSILICATE GLASSES - FIRST-PRINCIPLES CALCULATIONS, Physical review. B, Condensed matter, 55(24), 1997, pp. 15993-15996
Authors:
STEFANOV BB
RAGHAVACHARI K
Citation: Bb. Stefanov et K. Raghavachari, OXIDATION OF SI(100)2X1 - THERMODYNAMICS OF OXYGEN INSERTION AND MIGRATION, Surface science, 389(1-3), 1997, pp. 1159-1164
Authors:
STRUCK LM
ENG J
BENT BE
FLYNN GW
CHABAL YJ
CHRISTMAN SB
CHABAN EE
RAGHAVACHARI K
WILLIAMS GP
RADERMACHER K
MANTL S
Citation: Lm. Struck et al., VIBRATIONAL STUDY OF SILICON OXIDATION - H2O ON SI(100), Surface science, 380(2-3), 1997, pp. 444-454
Authors:
WELDON MK
STEFANOV BB
RAGHAVACHARI K
CHABAL YJ
Citation: Mk. Weldon et al., INITIAL H2O-INDUCED OXIDATION OF SI(100)-(2X1), Physical review letters, 79(15), 1997, pp. 2851-2854
Authors:
RAGHAVACHARI K
STEFANOV BB
CURTISS LA
Citation: K. Raghavachari et al., ACCURATE DENSITY-FUNCTIONAL THERMOCHEMISTRY FOR LARGER MOLECULES, Molecular physics, 91(3), 1997, pp. 555-559
Authors:
CURTISS LA
RAGHAVACHARI K
REDFERN PC
POPLE JA
Citation: La. Curtiss et al., ASSESSMENT OF GAUSSIAN-2 AND DENSITY-FUNCTIONAL THEORIES FOR THE COMPUTATION OF ENTHALPIES OF FORMATION, The Journal of chemical physics, 106(3), 1997, pp. 1063-1079
Authors:
ENG J
RAGHAVACHARI K
STRUCK LM
CHABAL YJ
BENT BE
FLYNN GW
CHRISTMAN SB
CHABAN EE
WILLIAMS GP
RADERMACHER K
MANTI S
Citation: J. Eng et al., A VIBRATIONAL STUDY OF ETHANOL ADSORPTION ON SI(100), The Journal of chemical physics, 106(23), 1997, pp. 9889-9898
Authors:
RAGHAVACHARI K
STEFANOV BB
CURTISS LA
Citation: K. Raghavachari et al., ACCURATE THERMOCHEMISTRY FOR LARGER MOLECULES - GAUSSIAN-2 THEORY WITH BOND SEPARATION ENERGIES, The Journal of chemical physics, 106(16), 1997, pp. 6764-6767
Authors:
CURTISS LA
RAGHAVACHARI K
REDFERN PC
POPLE JA
Citation: La. Curtiss et al., INVESTIGATION OF THE USE OF B3LYP ZERO-POINT ENERGIES AND GEOMETRIES IN THE CALCULATION OF ENTHALPIES OF FORMATION, Chemical physics letters, 270(5-6), 1997, pp. 419-426
Authors:
HADDON RC
RAGHAVACHARI K
Citation: Rc. Haddon et K. Raghavachari, ELECTRONIC-STRUCTURE OF THE FULLEROIDS - HOMOCONJUGATION IN BRIDGED C-60 DERIVATIVES, Tetrahedron, 52(14), 1996, pp. 5207-5220
Authors:
GROSSMAN JC
MITAS L
RAGHAVACHARI K
Citation: Jc. Grossman et al., STRUCTURE AND STABILITY OF MOLECULAR CARBON - IMPORTANCE OF ELECTRON CORRELATION (VOL 75, PG 3870, 1995), Physical review letters, 76(6), 1996, pp. 1006-1006
Authors:
RAGHAVACHARI K
ANDERSON JB
Citation: K. Raghavachari et Jb. Anderson, ELECTRON CORRELATION-EFFECTS IN MOLECULES, Journal of physical chemistry, 100(31), 1996, pp. 12960-12973
Authors:
RAGHAVACHARI K
CHABAL YJ
STRUCK LM
Citation: K. Raghavachari et al., VIBRATIONAL INTERACTIONS AT SURFACES - H2O ON SI(100), Chemical physics letters, 252(3-4), 1996, pp. 230-235
Authors:
ZHANG BL
RAGHAVACHARI K
Citation: Bl. Zhang et K. Raghavachari, MICROSCOPIC REACTION-MECHANISMS IN HYDROGEN-LOADED GERMANOSILICATE FIBERS - FORMATION OF DIVALENT GE DEFECTS, Physical review. B, Condensed matter, 51(12), 1995, pp. 7946-7949
Authors:
GROSSMAN JC
MITAS L
RAGHAVACHARI K
Citation: Jc. Grossman et al., STRUCTURE AND STABILITY OF MOLECULAR CARBON - IMPORTANCE OF ELECTRON CORRELATION, Physical review letters, 75(21), 1995, pp. 3870-3873
Authors:
CURTISS LA
RAGHAVACHARI K
POPLE JA
Citation: La. Curtiss et al., GAUSSIAN-2 THEORY - USE OF HIGHER-LEVEL CORRELATION METHODS, QUADRATIC CONFIGURATION-INTERACTION GEOMETRIES, AND 2ND-ORDER MOLLER-PLESSET ZERO-POINT ENERGIES, The Journal of chemical physics, 103(10), 1995, pp. 4192-4200
Authors:
YOKOZAWA A
HIROSE K
ISHITANI A
KAMOSHIDA M
HILLENIUS S
GILMER G
RAGHAVACHARI K
Citation: A. Yokozawa et al., THEORETICAL INVESTIGATIONS ON ELECTRON TRAP GENERATION BY FLUORINE-ATOMS IN SIO2 FILM, Journal of applied physics, 77(12), 1995, pp. 6345-6349