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Results: 1-25 | 26-50 | 51-56
Results: 26-50/56
A Feynman path centroid dynamics approach for the computation of time correlation functions involving nonlinear operators
Authors: Reichman, DR Roy, PN Jang, S Voth, GA
Citation: Dr. Reichman et al., A Feynman path centroid dynamics approach for the computation of time correlation functions involving nonlinear operators, J CHEM PHYS, 113(3), 2000, pp. 919-929
Quantum molecular dynamics and spectral simulation of a boron impurity in solid para-hydrogen
Authors: Krumrine, JR Jang, SM Alexander, MH Voth, GA
Citation: Jr. Krumrine et al., Quantum molecular dynamics and spectral simulation of a boron impurity in solid para-hydrogen, J CHEM PHYS, 113(20), 2000, pp. 9079-9089
The quantum vibrational dynamics of Cl-(H2O)(n) clusters
Authors: Schenter, GK Garrett, BC Voth, GA
Citation: Gk. Schenter et al., The quantum vibrational dynamics of Cl-(H2O)(n) clusters, J CHEM PHYS, 113(13), 2000, pp. 5171-5178
Modeling the free energy surfaces of electron transfer in condensed phases
Authors: Matyushov, DV Voth, GA
Citation: Dv. Matyushov et Ga. Voth, Modeling the free energy surfaces of electron transfer in condensed phases, J CHEM PHYS, 113(13), 2000, pp. 5413-5424
Self-consistent harmonic theory of solvation in glassy systems: Classical solvation
Authors: Reichman, DR Voth, GA
Citation: Dr. Reichman et Ga. Voth, Self-consistent harmonic theory of solvation in glassy systems: Classical solvation, J CHEM PHYS, 112(7), 2000, pp. 3267-3279
Self-consistent harmonic theory of solvation in glassy systems: Quantum solvation
Authors: Reichman, DR Voth, GA
Citation: Dr. Reichman et Ga. Voth, Self-consistent harmonic theory of solvation in glassy systems: Quantum solvation, J CHEM PHYS, 112(7), 2000, pp. 3280-3284
A relationship between centroid dynamics and path integral quantum transition state theory
Authors: Jang, S Voth, GA
Citation: S. Jang et Ga. Voth, A relationship between centroid dynamics and path integral quantum transition state theory, J CHEM PHYS, 112(20), 2000, pp. 8747-8757
The isotope substitution effect on the hydrated proton
Authors: Schmitt, UW Voth, GA
Citation: Uw. Schmitt et Ga. Voth, The isotope substitution effect on the hydrated proton, CHEM P LETT, 329(1-2), 2000, pp. 36-41
The mechanism of hydrated proton transport in water
Authors: Day, TJF Schmitt, UW Voth, GA
Citation: Tjf. Day et al., The mechanism of hydrated proton transport in water, J AM CHEM S, 122(48), 2000, pp. 12027-12028
Feynman path centroid dynamics
Authors: Voth, GA
Citation: Ga. Voth, Feynman path centroid dynamics, PROG T CHEM, 5, 2000, pp. 47-68
A failure of continuum theory: Temperature dependence of the solvent reorganization energy of electron transfer in highly polar solvents
Authors: Vath, P Zimmt, MB Matyushov, DV Voth, GA
Citation: P. Vath et al., A failure of continuum theory: Temperature dependence of the solvent reorganization energy of electron transfer in highly polar solvents, J PHYS CH B, 103(43), 1999, pp. 9130-9140
Classical and quantum simulation of electron transfer through a polypeptide
Authors: Ungar, LW Newton, MD Voth, GA
Citation: Lw. Ungar et al., Classical and quantum simulation of electron transfer through a polypeptide, J PHYS CH B, 103(34), 1999, pp. 7367-7382
Electrochemical bond-breaking reactions: A comparison of large scale simulation results with analytical theory
Authors: Calhoun, A Koper, MTM Voth, GA
Citation: A. Calhoun et al., Electrochemical bond-breaking reactions: A comparison of large scale simulation results with analytical theory, J PHYS CH B, 103(17), 1999, pp. 3442-3448
Reactive flux calculations of methyl vinyl ketone reacting with cyclopentadiene in water
Authors: Pak, Y Voth, GA
Citation: Y. Pak et Ga. Voth, Reactive flux calculations of methyl vinyl ketone reacting with cyclopentadiene in water, J PHYS CH A, 103(7), 1999, pp. 925-931
A theory of electron transfer and steady-state optical spectra of chromophores with varying electronic polarizability
Authors: Matyushov, DV Voth, GA
Citation: Dv. Matyushov et Ga. Voth, A theory of electron transfer and steady-state optical spectra of chromophores with varying electronic polarizability, J PHYS CH A, 103(50), 1999, pp. 10981-10992
Quantum dynamical simulation of the energy relaxation rate of the CN- ion in water
Authors: Jang, SM Pak, Y Voth, GA
Citation: Sm. Jang et al., Quantum dynamical simulation of the energy relaxation rate of the CN- ion in water, J PHYS CH A, 103(49), 1999, pp. 10289-10293
Workshop on time-dependent quantum molecular dynamics
Authors: Voth, GA
Citation: Ga. Voth, Workshop on time-dependent quantum molecular dynamics, J PHYS CH A, 103(47), 1999, pp. 9383-9383
Quantum molecular dynamics simulations of low-temperature high energy density matter: Solid p-H-2/Li and p-H-2/B
Authors: Jang, S Jang, S Voth, GA
Citation: S. Jang et al., Quantum molecular dynamics simulations of low-temperature high energy density matter: Solid p-H-2/Li and p-H-2/B, J PHYS CH A, 103(47), 1999, pp. 9512-9520
A modification of path integral quantum transition state theory for asymmetric and metastable potentials
Authors: Jang, S Schwieters, CD Voth, GA
Citation: S. Jang et al., A modification of path integral quantum transition state theory for asymmetric and metastable potentials, J PHYS CH A, 103(47), 1999, pp. 9527-9538
A perturbation theory for solvation thermodynamics: Dipolar-quadrupolar liquids
Authors: Matyushov, DV Voth, GA
Citation: Dv. Matyushov et Ga. Voth, A perturbation theory for solvation thermodynamics: Dipolar-quadrupolar liquids, J CHEM PHYS, 111(8), 1999, pp. 3630-3638
Extension of path integral quantum transition state theory to the case of nonadiabatic activated dynamics
Authors: Schwieters, CD Voth, GA
Citation: Cd. Schwieters et Ga. Voth, Extension of path integral quantum transition state theory to the case of nonadiabatic activated dynamics, J CHEM PHYS, 111(7), 1999, pp. 2869-2877
Path integral centroid variables and the formulation of their exact real time dynamics
Authors: Jang, S Voth, GA
Citation: S. Jang et Ga. Voth, Path integral centroid variables and the formulation of their exact real time dynamics, J CHEM PHYS, 111(6), 1999, pp. 2357-2370
A derivation of centroid molecular dynamics and other approximate time evolution methods for path integral centroid variables
Authors: Jang, S Voth, GA
Citation: S. Jang et Ga. Voth, A derivation of centroid molecular dynamics and other approximate time evolution methods for path integral centroid variables, J CHEM PHYS, 111(6), 1999, pp. 2371-2384
The computer simulation of proton transport in water
Authors: Schmitt, UW Voth, GA
Citation: Uw. Schmitt et Ga. Voth, The computer simulation of proton transport in water, J CHEM PHYS, 111(20), 1999, pp. 9361-9381
Feynman path centroid dynamics for Fermi-Dirac statistics
Authors: Roy, PN Jang, SJ Voth, GA
Citation: Pn. Roy et al., Feynman path centroid dynamics for Fermi-Dirac statistics, J CHEM PHYS, 111(12), 1999, pp. 5303-5305
Risultati: 1-25 | 26-50 | 51-56