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Results: 1-18 |
Results: 18
SILICON EPOXIDE - UNEXPECTED INTERMEDIATE DURING SILICON-OXIDE FORMATION
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
ASSESSMENT OF COMPLETE BASIS-SET METHODS FOR CALCULATION OF ENTHALPIES OF FORMATION
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
PATHWAYS FOR INITIAL WATER-INDUCED OXIDATION OF SI(100)
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
PHOTOABSORPTION OF THE NEUTRAL OXYGEN VACANCY IN SILICATE AND GERMANOSILICATE GLASSES - FIRST-PRINCIPLES CALCULATIONS
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
OXIDATION OF SI(100)2X1 - THERMODYNAMICS OF OXYGEN INSERTION AND MIGRATION
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
INITIAL H2O-INDUCED OXIDATION OF SI(100)-(2X1)
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
ACCURATE DENSITY-FUNCTIONAL THERMOCHEMISTRY FOR LARGER MOLECULES
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
ACCURATE THERMOCHEMISTRY FOR LARGER MOLECULES - GAUSSIAN-2 THEORY WITH BOND SEPARATION ENERGIES
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
CLUSTER-MODELS FOR THE PHOTOABSORPTION OF DIVALENT DEFECTS IN SILICATE-GLASSES - BASIS-SET AND CLUSTER-SIZE DEPENDENCE
Authors: STEFANOV BB RAGHAVACHAN K
Citation: Bb. Stefanov et K. Raghavachan, CLUSTER-MODELS FOR THE PHOTOABSORPTION OF DIVALENT DEFECTS IN SILICATE-GLASSES - BASIS-SET AND CLUSTER-SIZE DEPENDENCE, Applied physics letters, 71(6), 1997, pp. 770-772
EFFICIENT ALGORITHM FOR QUANTITATIVE ASSESSMENT OF SIMILARITIES AMONGATOMS IN MOLECULES
Authors: CIOSLOWSKI J STEFANOV BB CONSTANS P
Citation: J. Cioslowski et al., EFFICIENT ALGORITHM FOR QUANTITATIVE ASSESSMENT OF SIMILARITIES AMONGATOMS IN MOLECULES, Journal of computational chemistry, 17(11), 1996, pp. 1352-1358
ANALYTICAL DERIVATIVES OF ATOMIC ZERO-FLUX SURFACES AND PROPERTIES OFATOMS IN MOLECULES WITH RESPECT TO EXTERNAL PERTURBATIONS
Authors: CIOSLOWSKI J STEFANOV BB
Citation: J. Cioslowski et Bb. Stefanov, ANALYTICAL DERIVATIVES OF ATOMIC ZERO-FLUX SURFACES AND PROPERTIES OFATOMS IN MOLECULES WITH RESPECT TO EXTERNAL PERTURBATIONS, The Journal of chemical physics, 105(19), 1996, pp. 8741-8747
SYMMETRY HANDLING IN CALCULATIONS OF PROPERTIES OF ATOMS IN MOLECULES
Authors: CIOSLOWSKI J STEFANOV BB
Citation: J. Cioslowski et Bb. Stefanov, SYMMETRY HANDLING IN CALCULATIONS OF PROPERTIES OF ATOMS IN MOLECULES, Chemical physics letters, 256(4-5), 1996, pp. 449-453
VARIABILITY OF SHAPES AND PROPERTIES OF ATOMS IN MOLECULES - A CASE-STUDY OF THE CARBONYL OXYGEN
Authors: STEFANOV BB CIOSLOWSKI J
Citation: Bb. Stefanov et J. Cioslowski, VARIABILITY OF SHAPES AND PROPERTIES OF ATOMS IN MOLECULES - A CASE-STUDY OF THE CARBONYL OXYGEN, Canadian journal of chemistry, 74(6), 1996, pp. 1263-1270
AN EFFICIENT APPROACH TO CALCULATION OF ZERO-FLUX ATOMIC SURFACES ANDGENERATION OF ATOMIC INTEGRATION DATA
Authors: STEFANOV BB CIOSLOWSKI J
Citation: Bb. Stefanov et J. Cioslowski, AN EFFICIENT APPROACH TO CALCULATION OF ZERO-FLUX ATOMIC SURFACES ANDGENERATION OF ATOMIC INTEGRATION DATA, Journal of computational chemistry, 16(11), 1995, pp. 1394-1404
VARIATIONAL DETERMINATION OF THE ZERO-FLUX SURFACES OF ATOMS IN MOLECULES
Authors: CIOSLOWSKI J STEFANOV BB
Citation: J. Cioslowski et Bb. Stefanov, VARIATIONAL DETERMINATION OF THE ZERO-FLUX SURFACES OF ATOMS IN MOLECULES, Molecular physics, 84(4), 1995, pp. 707-716
ELECTRON INTRACULE DENSITIES WITH CORRECT ELECTRON COALESCENCE CUSPS FROM HILLER-SUCHER-FEINBERG-TYPE IDENTITIES
Authors: CIOSLOWSKI J STEFANOV BB TAN A UMRIGAR CJ
Citation: J. Cioslowski et al., ELECTRON INTRACULE DENSITIES WITH CORRECT ELECTRON COALESCENCE CUSPS FROM HILLER-SUCHER-FEINBERG-TYPE IDENTITIES, The Journal of chemical physics, 103(14), 1995, pp. 6093-6103
STERIC OVERCROWDING IN PERHALOGENATED CYCLOHEXANES, DODECAHEDRANES, AND [60]FULLERANES
Authors: CIOSLOWSKI J EDGINGTON L STEFANOV BB
Citation: J. Cioslowski et al., STERIC OVERCROWDING IN PERHALOGENATED CYCLOHEXANES, DODECAHEDRANES, AND [60]FULLERANES, Journal of the American Chemical Society, 117(41), 1995, pp. 10381-10384
ELECTRON FLOW AND ELECTRONEGATIVITY EQUALIZATION IN THE PROCESS OF BOND FORMATION
Authors: CIOSLOWSKI J STEFANOV BB
Citation: J. Cioslowski et Bb. Stefanov, ELECTRON FLOW AND ELECTRONEGATIVITY EQUALIZATION IN THE PROCESS OF BOND FORMATION, The Journal of chemical physics, 99(7), 1993, pp. 5151-5162
Risultati: 1-18 |