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Results: 1-25/57
Authors:
HUMMER G
PRATT LR
GARCIA AE
GARDE S
BERNE BJ
RICK SW
Citation: G. Hummer et al., REPLY TO COMMENT ON ELECTROSTATIC POTENTIALS AND FREE-ENERGIES OF SOLVATION OF POLAR AND CHARGED MOLECULES, JOURNAL OF PHYSICAL CHEMISTRY B, 102(19), 1998, pp. 3841-3843
Authors:
BERNE BJ
BORKOVEC M
Citation: Bj. Berne et M. Borkovec, CLASSICAL-THEORIES OF REACTION DYNAMICS - TRANSITION-STATE THEORY, SPATIAL DIFFUSION-CONTROLLED REACTIONS, AND THE ENERGY DIFFUSION LIMIT, Journal of the Chemical Society. Faraday transactions (Print), 94(18), 1998, pp. 2717-2723
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
Authors:
RABANI E
EGOROV SA
BERNE BJ
Citation: E. Rabani et al., A COMPARISON OF EXACT QUANTUM-MECHANICAL AND VARIOUS SEMICLASSICAL TREATMENTS FOR THE VIBRONIC ABSORPTION-SPECTRUM - THE CASE OF FAST VIBRATIONAL-RELAXATION, The Journal of chemical physics, 109(15), 1998, pp. 6376-6381
Authors:
GEZELTER JD
RABANI E
BERNE BJ
Citation: Jd. Gezelter et al., RESPONSE TO COMMENT ON A CRITIQUE OF THE INSTANTANEOUS NORMAL-MODE (INM) APPROACH TO DIFFUSION [J. CHEM. PHYS, 109, 4693 (1998)], The Journal of chemical physics, 109(11), 1998, pp. 4695-4696
Authors:
EGOROV SA
RABANI E
BERNE BJ
Citation: Sa. Egorov et al., VIBRONIC SPECTRA IN CONDENSED MATTER - A COMPARISON OF EXACT QUANTUM-MECHANICAL AND VARIOUS SEMICLASSICAL TREATMENTS FOR HARMONIC BATHS, The Journal of chemical physics, 108(4), 1998, pp. 1407-1422
Authors:
LIU YP
KIM K
BERNE BJ
FRIESNER RA
RICK SW
Citation: Yp. Liu et al., CONSTRUCTING AB-INITIO FORCE-FIELDS FOR MOLECULAR-DYNAMICS SIMULATIONS, The Journal of chemical physics, 108(12), 1998, pp. 4739-4755
Authors:
RICK SW
BERNE BJ
Citation: Sw. Rick et Bj. Berne, FREE-ENERGY OF THE HYDROPHOBIC INTERACTION FROM MOLECULAR-DYNAMICS SIMULATIONS - THE EFFECTS OF SOLUTE AND SOLVENT POLARIZABILITY, JOURNAL OF PHYSICAL CHEMISTRY B, 101(49), 1997, pp. 10488-10493
Authors:
HUMMER G
PRATT LR
GARCIA AE
BERNE BJ
RICK SW
Citation: G. Hummer et al., ELECTROSTATIC POTENTIALS AND FREE-ENERGIES OF SOLVATION OF POLAR AND CHARGED MOLECULES, JOURNAL OF PHYSICAL CHEMISTRY B, 101(16), 1997, pp. 3017-3020
Authors:
BERNE BJ
STRAUB JE
Citation: Bj. Berne et Je. Straub, NOVEL METHODS OF SAMPLING PHASE-SPACE IN THE SIMULATION OF BIOLOGICAL-SYSTEMS, Current opinion in structural biology, 7(2), 1997, pp. 181-189
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
Authors:
ZHOU RH
BERNE BJ
Citation: Rh. Zhou et Bj. Berne, SMART WALKING - A NEW METHOD FOR BOLTZMANN SAMPLING OF PROTEIN CONFORMATIONS, The Journal of chemical physics, 107(21), 1997, pp. 9185-9196
Authors:
MUSER MH
BERNE BJ
Citation: Mh. Muser et Bj. Berne, CIRCUMVENTING THE PATHOLOGICAL BEHAVIOR OF PATH-INTEGRAL MONTE-CARLO FOR SYSTEMS WITH COULOMB POTENTIALS, The Journal of chemical physics, 107(2), 1997, pp. 571-575
Authors:
RABANI E
GEZELTER JD
BERNE BJ
Citation: E. Rabani et al., CALCULATING THE HOPPING RATE FOR SELF-DIFFUSION ON ROUGH POTENTIAL-ENERGY SURFACES - CAGE CORRELATIONS, The Journal of chemical physics, 107(17), 1997, pp. 6867-6876
Authors:
FIGUEIRIDO F
LEVY RM
ZHOU RH
BERNE BJ
Citation: F. Figueirido et al., LARGE-SCALE SIMULATION OF MACROMOLECULES IN SOLUTION - COMBINING THE PERIODIC FAST MULTIPOLE METHOD WITH MULTIPLE TIME-STEP INTEGRATORS (VOL 106, PG 9835, 1997), The Journal of chemical physics, 107(17), 1997, pp. 7002-7002
Authors:
EGOROV SA
BERNE BJ
Citation: Sa. Egorov et Bj. Berne, VIBRATIONAL-ENERGY RELAXATION IN THE CONDENSED PHASES - QUANTUM VS CLASSICAL BATH FOR MULTIPHONON PROCESSES, The Journal of chemical physics, 107(16), 1997, pp. 6050-6061
Authors:
GEZELTER JD
RABANI E
BERNE BJ
Citation: Jd. Gezelter et al., CAN IMAGINARY INSTANTANEOUS NORMAL-MODE FREQUENCIES PREDICT BARRIERS TO SELF-DIFFUSION, The Journal of chemical physics, 107(12), 1997, pp. 4618-4627
Authors:
ROOT LJ
BERNE BJ
Citation: Lj. Root et Bj. Berne, EFFECT OF PRESSURE ON HYDROGEN-BONDING IN GLYCEROL - A MOLECULAR-DYNAMICS INVESTIGATION, The Journal of chemical physics, 107(11), 1997, pp. 4350-4357
Authors:
BADER JS
CORTIS CM
BERNE BJ
Citation: Js. Bader et al., SOLVATION AND REORGANIZATION ENERGIES IN POLARIZABLE MOLECULAR AND CONTINUUM SOLVENTS, The Journal of chemical physics, 106(6), 1997, pp. 2372-2387
Authors:
FIGUEIRIDO F
LEVY RM
ZHOU RH
BERNE BJ
Citation: F. Figueirido et al., LARGE-SCALE SIMULATION OF MACROMOLECULES IN SOLUTION - COMBINING THE PERIODIC FAST MULTIPOLE METHOD WITH MULTIPLE TIME-STEP INTEGRATORS, The Journal of chemical physics, 106(23), 1997, pp. 9835-9849
Authors:
MUSER MH
BERNE BJ
Citation: Mh. Muser et Bj. Berne, PATH-INTEGRAL MONTE-CARLO SCHEME FOR RIGID TOPS - APPLICATION TO THE QUANTUM ROTATOR PHASE-TRANSITION IN SOLID METHANE, Physical review letters, 77(13), 1996, pp. 2638-2641
Authors:
BERNE BJ
Citation: Bj. Berne, INFERRING THE HYDROPHOBIC INTERACTION FROM THE PROPERTIES OF NEAT WATER, Proceedings of the National Academy of Sciences of the United Statesof America, 93(17), 1996, pp. 8800-8803
Authors:
STUART SJ
BERNE BJ
Citation: Sj. Stuart et Bj. Berne, EFFECTS OF POLARIZABILITY ON THE HYDRATION OF THE CHLORIDE-ION, Journal of physical chemistry, 100(29), 1996, pp. 11934-11943
Authors:
STUART SJ
ZHOU RH
BERNE BJ
Citation: Sj. Stuart et al., MOLECULAR-DYNAMICS WITH MULTIPLE TIME SCALES - THE SELECTION OF EFFICIENT REFERENCE SYSTEM PROPAGATORS, The Journal of chemical physics, 105(4), 1996, pp. 1426-1436
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