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Results: 1-12 |
Results: 12
CALCULATION OF THE AQUEOUS SOLVATION FREE-ENERGY OF THE PROTON
Authors: TAWA GJ TOPOL IA BURT SK CALDWELL RA RASHIN AA
Citation: Gj. Tawa et al., CALCULATION OF THE AQUEOUS SOLVATION FREE-ENERGY OF THE PROTON, The Journal of chemical physics, 109(12), 1998, pp. 4852-4863
CALCULATION OF RELATIVE BINDING FREE-ENERGIES OF PEPTIDIC INHIBITORS TO HIV-1 PROTEASE AND ITS I84V MUTANT
Authors: TAWA GJ TOPOL IA BURT SK ERICKSON JW
Citation: Gj. Tawa et al., CALCULATION OF RELATIVE BINDING FREE-ENERGIES OF PEPTIDIC INHIBITORS TO HIV-1 PROTEASE AND ITS I84V MUTANT, Journal of the American Chemical Society, 120(34), 1998, pp. 8856-8863
CALCULATION OF ABSOLUTE AND RELATIVE ACIDITIES OF SUBSTITUTED IMIDAZOLES IN AQUEOUS SOLVENT
Authors: TOPOL IA TAWA GJ BURT SK RASHIN AA
Citation: Ia. Topol et al., CALCULATION OF ABSOLUTE AND RELATIVE ACIDITIES OF SUBSTITUTED IMIDAZOLES IN AQUEOUS SOLVENT, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(51), 1997, pp. 10075-10081
REACTION FIELD SPECTRAL SHIFTS WITH SEMIEMPIRICAL MOLECULAR-ORBITAL THEORY
Authors: TAWA GJ MARTIN RL PRATT LR
Citation: Gj. Tawa et al., REACTION FIELD SPECTRAL SHIFTS WITH SEMIEMPIRICAL MOLECULAR-ORBITAL THEORY, International journal of quantum chemistry, 64(2), 1997, pp. 143-155
BOUNDARY INTEGRAL METHODS FOR THE POISSON EQUATION OF CONTINUUM DIELECTRIC SOLVATION MODELS
Authors: PRATT LR TAWA GJ HUMMER G GARCIA AE CORCELLI SA
Citation: Lr. Pratt et al., BOUNDARY INTEGRAL METHODS FOR THE POISSON EQUATION OF CONTINUUM DIELECTRIC SOLVATION MODELS, International journal of quantum chemistry, 64(1), 1997, pp. 121-141
CALCULATION OF A REACTION-PATH FOR KOH CATALYZED RING-OPENING POLYMERIZATION OF HEXAMETHYLCYCLOTRISILOXANE
Authors: KRESS JD LEUNG PC TAWA GJ HAY PJ
Citation: Jd. Kress et al., CALCULATION OF A REACTION-PATH FOR KOH CATALYZED RING-OPENING POLYMERIZATION OF HEXAMETHYLCYCLOTRISILOXANE, Journal of the American Chemical Society, 119(8), 1997, pp. 1954-1960
SOLVATION FREE-ENERGY CALCULATIONS USING A CONTINUUM DIELECTRIC MODELFOR THE SOLVENT AND GRADIENT-CORRECTED DENSITY-FUNCTIONAL THEORY FOR THE SOLUTE
Authors: TAWA GJ MARTIN RL PRATT LR RUSSO TV
Citation: Gj. Tawa et al., SOLVATION FREE-ENERGY CALCULATIONS USING A CONTINUUM DIELECTRIC MODELFOR THE SOLVENT AND GRADIENT-CORRECTED DENSITY-FUNCTIONAL THEORY FOR THE SOLUTE, Journal of physical chemistry, 100(5), 1996, pp. 1515-1523
QUANTUM PHOTOCHEMISTRY - ACCURATE QUANTUM SCATTERING CALCULATIONS FORAN ELECTRONICALLY NONADIABATIC REACTION
Authors: MIELKE SL TAWA GJ TRUHLAR DG SCHWENKE DW
Citation: Sl. Mielke et al., QUANTUM PHOTOCHEMISTRY - ACCURATE QUANTUM SCATTERING CALCULATIONS FORAN ELECTRONICALLY NONADIABATIC REACTION, Chemical physics letters, 234(1-3), 1995, pp. 57-63
THEORETICAL CALCULATION OF THE WATER ION PRODUCT K-W
Authors: TAWA GJ PRATT LR
Citation: Gj. Tawa et Lr. Pratt, THEORETICAL CALCULATION OF THE WATER ION PRODUCT K-W, Journal of the American Chemical Society, 117(5), 1995, pp. 1625-1628
ALGEBRAIC VARIATIONAL AND PROPAGATION FORMALISMS FOR QUANTAL DYNAMICSCALCULATIONS OF ELECTRONIC-TO-VIBRATIONAL, ROTATIONAL ENERGY-TRANSFERAND APPLICATION TO THE QUENCHING OF THE 3P STATE OF SODIUM BY HYDROGEN MOLECULES
Authors: TAWA GJ MIELKE SL TRUHLAR DG SCHWENKE DW
Citation: Gj. Tawa et al., ALGEBRAIC VARIATIONAL AND PROPAGATION FORMALISMS FOR QUANTAL DYNAMICSCALCULATIONS OF ELECTRONIC-TO-VIBRATIONAL, ROTATIONAL ENERGY-TRANSFERAND APPLICATION TO THE QUENCHING OF THE 3P STATE OF SODIUM BY HYDROGEN MOLECULES, The Journal of chemical physics, 100(8), 1994, pp. 5751-5777
PARTIAL WIDTHS OF FESHBACH FUNNEL RESONANCES IN THE NA(3P)CENTER-DOT-H-2 EXCIPLEX
Authors: MIELKE SL TAWA GJ TRUHLAR DG SCHWENKE DW
Citation: Sl. Mielke et al., PARTIAL WIDTHS OF FESHBACH FUNNEL RESONANCES IN THE NA(3P)CENTER-DOT-H-2 EXCIPLEX, International journal of quantum chemistry, 1993, pp. 621-632
ENERGY-TRANSFER THROUGH EXCIPLEX FUNNEL STATES
Authors: MIELKE SL TAWA GJ TRUHLAR DG SCHWENKE DW
Citation: Sl. Mielke et al., ENERGY-TRANSFER THROUGH EXCIPLEX FUNNEL STATES, Journal of the American Chemical Society, 115(14), 1993, pp. 6436-6437
Risultati: 1-12 |