AAAAAA

   
Results: 1-8 |
Results: 8
COMPUTER-SIMULATIONS WITH EXPLICIT SOLVENT - RECENT PROGRESS IN THE THERMODYNAMIC DECOMPOSITION OF FREE-ENERGIES AND IN MODELING ELECTROSTATIC EFFECTS
Authors: LEVY RM GALLICCHIO E
Citation: Rm. Levy et E. Gallicchio, COMPUTER-SIMULATIONS WITH EXPLICIT SOLVENT - RECENT PROGRESS IN THE THERMODYNAMIC DECOMPOSITION OF FREE-ENERGIES AND IN MODELING ELECTROSTATIC EFFECTS, Annual review of physical chemistry, 49, 1998, pp. 531-567
ON THE APPLICATION OF NUMERICAL ANALYTIC CONTINUATION METHODS TO THE STUDY OF QUANTUM-MECHANICAL VIBRATIONAL-RELAXATION PROCESSES
Authors: GALLICCHIO E EGOROV SA BERNE BJ
Citation: E. Gallicchio et al., ON THE APPLICATION OF NUMERICAL ANALYTIC CONTINUATION METHODS TO THE STUDY OF QUANTUM-MECHANICAL VIBRATIONAL-RELAXATION PROCESSES, The Journal of chemical physics, 109(18), 1998, pp. 7745-7755
ON THE LOCAL AND NONLOCAL COMPONENTS OF SOLVATION THERMODYNAMICS AND THEIR RELATION TO SOLVATION SHELL MODELS
Authors: MATUBAYASI N GALLICCHIO E LEVY RM
Citation: N. Matubayasi et al., ON THE LOCAL AND NONLOCAL COMPONENTS OF SOLVATION THERMODYNAMICS AND THEIR RELATION TO SOLVATION SHELL MODELS, The Journal of chemical physics, 109(12), 1998, pp. 4864-4872
ENTROPY-ENTHALPY COMPENSATION IN SOLVATION AND LIGAND-BINDING REVISITED
Authors: GALLICCHIO E KUBO MM LEVY RM
Citation: E. Gallicchio et al., ENTROPY-ENTHALPY COMPENSATION IN SOLVATION AND LIGAND-BINDING REVISITED, Journal of the American Chemical Society, 120(18), 1998, pp. 4526-4527
THERMODYNAMIC DECOMPOSITION OF HYDRATION FREE-ENERGIES BY COMPUTER-SIMULATION - APPLICATION TO AMINES, OXIDES, AND SULFIDES
Authors: KUBO MM GALLICCHIO E LEVY RM
Citation: Mm. Kubo et al., THERMODYNAMIC DECOMPOSITION OF HYDRATION FREE-ENERGIES BY COMPUTER-SIMULATION - APPLICATION TO AMINES, OXIDES, AND SULFIDES, JOURNAL OF PHYSICAL CHEMISTRY B, 101(49), 1997, pp. 10527-10534
THE SIMULATION OF ELECTRONIC ABSORPTION-SPECTRUM OF A CHROMOPHORE COUPLED TO A CONDENSED-PHASE ENVIRONMENT - MAXIMUM-ENTROPY VERSUS SINGULAR-VALUE DECOMPOSITION APPROACHES
Authors: EGOROV SA GALLICCHIO E BERNE BJ
Citation: Sa. Egorov et al., THE SIMULATION OF ELECTRONIC ABSORPTION-SPECTRUM OF A CHROMOPHORE COUPLED TO A CONDENSED-PHASE ENVIRONMENT - MAXIMUM-ENTROPY VERSUS SINGULAR-VALUE DECOMPOSITION APPROACHES, The Journal of chemical physics, 107(22), 1997, pp. 9312-9318
ON THE CALCULATION OF DYNAMICAL PROPERTIES OF SOLVATED ELECTRONS BY MAXIMUM-ENTROPY ANALYTIC CONTINUATION OF PATH-INTEGRAL MONTE-CARLO DATA
Authors: GALLICCHIO E BERNE BJ
Citation: E. Gallicchio et Bj. Berne, ON THE CALCULATION OF DYNAMICAL PROPERTIES OF SOLVATED ELECTRONS BY MAXIMUM-ENTROPY ANALYTIC CONTINUATION OF PATH-INTEGRAL MONTE-CARLO DATA, The Journal of chemical physics, 105(16), 1996, pp. 7064-7078
THE ABSORPTION-SPECTRUM OF THE SOLVATED ELECTRON IN FLUID HELIUM BY MAXIMUM-ENTROPY INVERSION OF IMAGINARY TIME-CORRELATION FUNCTIONS FROM PATH-INTEGRAL MONTE-CARLO SIMULATIONS
Authors: GALLICCHIO E BERNE BJ
Citation: E. Gallicchio et Bj. Berne, THE ABSORPTION-SPECTRUM OF THE SOLVATED ELECTRON IN FLUID HELIUM BY MAXIMUM-ENTROPY INVERSION OF IMAGINARY TIME-CORRELATION FUNCTIONS FROM PATH-INTEGRAL MONTE-CARLO SIMULATIONS, The Journal of chemical physics, 101(11), 1994, pp. 9909-9918
Risultati: 1-8 |