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Results: 1-25/29
DIFFUSION OF WATER IN SWOLLEN POLY(VINYL ALCOHOL) MEMBRANES STUDIED BY MOLECULAR-DYNAMICS SIMULATION
Authors:
MULLERPLATHE F
Citation: F. Mullerplathe, DIFFUSION OF WATER IN SWOLLEN POLY(VINYL ALCOHOL) MEMBRANES STUDIED BY MOLECULAR-DYNAMICS SIMULATION, Journal of membrane science, 141(2), 1998, pp. 147-154
Authors:
VANGUNSTEREN WF
LIU H
MULLERPLATHE F
Citation: Wf. Vangunsteren et al., THE ELUCIDATION OF ENZYMATIC-REACTION MECHANISMS BY COMPUTER-SIMULATION - HUMAN-IMMUNODEFICIENCY-VIRUS PROTEASE CATALYSIS, Journal of molecular structure. Theochem, 432(1), 1998, pp. 9-14
Authors:
MULLERPLATHE F
Citation: F. Mullerplathe, DIFFERENT STATES OF WATER IN HYDROGELS, Macromolecules, 31(19), 1998, pp. 6721-6723
Authors:
BERWEGER CD
VANGUNSTEREN WF
MULLERPLATHE F
Citation: Cd. Berweger et al., MOLECULAR-DYNAMICS SIMULATION WITH AN AB-INITIO POTENTIAL-ENERGY FUNCTION AND FINITE-ELEMENT INTERPOLATION - THE PHOTOISOMERIZATION OF CIS-STILBENE IN SOLUTION, The Journal of chemical physics, 108(21), 1998, pp. 8773-8781
Authors:
MULLERPLATHE F
Citation: F. Mullerplathe, MICROSCOPIC DYNAMICS IN WATER-SWOLLEN POLY(VINYL ALCOHOL), The Journal of chemical physics, 108(19), 1998, pp. 8252-8263
Authors:
MOONEY DA
MULLERPLATHE F
KREMER K
Citation: Da. Mooney et al., SIMULATION STUDIES FOR LIQUID PHENOL - PROPERTIES EVALUATED AND TESTED OVER A RANGE OF TEMPERATURES, Chemical physics letters, 294(1-3), 1998, pp. 135-142
Authors:
BERWEGER CD
VANGUNSTEREN WF
MULLERPLATHE F
Citation: Cd. Berweger et al., FINITE-ELEMENT INTERPOLATION FOR COMBINED CLASSICAL-QUANTUM MECHANICAL MOLECULAR-DYNAMICS SIMULATIONS, Journal of computational chemistry, 18(12), 1997, pp. 1484-1495
Authors:
NEZEL T
MULLERPLATHE F
MULLER MD
BUSER HR
Citation: T. Nezel et al., THEORETICAL CONSIDERATIONS ABOUT CHIRAL PCBS AND THEIR METHYLTHIO ANDMETHYLSULFONYL METABOLITES BEING POSSIBLY PRESENT AS STABLE ENANTIOMERS, Chemosphere, 35(9), 1997, pp. 1895-1906
Authors:
MULLERPLATHE F
VANGUNSTEREN WF
Citation: F. Mullerplathe et Wf. Vangunsteren, SOLVATION OF POLY(VINYL ALCOHOL) IN WATER, ETHANOL AND AN EQUIMOLAR WATER-ETHANOL MIXTURE - STRUCTURE AND DYNAMICS STUDIED BY MOLECULAR-DYNAMICS SIMULATION, Polymer, 38(9), 1997, pp. 2259-2268
Authors:
MULLERPLATHE F
Citation: F. Mullerplathe, A SIMPLE NONEQUILIBRIUM MOLECULAR-DYNAMICS METHOD FOR CALCULATING THETHERMAL-CONDUCTIVITY, The Journal of chemical physics, 106(14), 1997, pp. 6082-6085
Authors:
LIU HY
MULLERPLATHE F
VANGUNSTEREN WF
Citation: Hy. Liu et al., MOLECULAR-DYNAMICS WITH A QUANTUM-CHEMICAL POTENTIAL - SOLVENT EFFECTS ON AN S(N)2 REACTION AT NITROGEN, Chemistry, 2(2), 1996, pp. 191-195
Authors:
MULLERPLATHE F
Citation: F. Mullerplathe, AN ALL-ATOM FORCE-FIELD FOR LIQUID ETHANOL - PROPERTIES OF ETHANOL-WATER MIXTURES, Molecular simulation, 18(1-2), 1996, pp. 133-143
Authors:
MULLERPLATHE F
Citation: F. Mullerplathe, LOCAL-STRUCTURE AND DYNAMICS IN SOLVENT-SWOLLEN POLYMERS, Macromolecules, 29(13), 1996, pp. 4782-4791
Authors:
LIU HY
MULLERPLATHE F
VANGUNSTEREN WF
Citation: Hy. Liu et al., A COMBINED QUANTUM CLASSICAL MOLECULAR-DYNAMICS STUDY OF THE CATALYTIC MECHANISM OF HIV PROTEASE/, Journal of Molecular Biology, 261(3), 1996, pp. 454-469
Authors:
MULLERPLATHE F
Citation: F. Mullerplathe, SOLVENT DYNAMICS IN SWOLLEN POLYMERS, Chemical physics letters, 252(5-6), 1996, pp. 419-424
Authors:
MULLERPLATHE F
VANGUNSTEREN WF
Citation: F. Mullerplathe et Wf. Vangunsteren, COMPUTER-SIMULATION OF A POLYMER ELECTROLYTE - LITHIUM IODIDE IN AMORPHOUS POLY(ETHYLENE OXIDE), The Journal of chemical physics, 103(11), 1995, pp. 4745-4756
Authors:
MULLERPLATHE F
Citation: F. Mullerplathe, UNEXPECTED DIFFUSION BEHAVIOR OF GAS MOLECULES IN CRYSTALLINE POLY(4-METHYL-1-PENTENE), The Journal of chemical physics, 103(10), 1995, pp. 4346-4351
Authors:
LIU HY
MULLERPLATHE F
VANGUNSTEREN WF
Citation: Hy. Liu et al., A MOLECULAR-DYNAMICS SIMULATION STUDY WITH A COMBINED QUANTUM-MECHANICAL AND MOLECULAR MECHANICAL POTENTIAL-ENERGY FUNCTION - SOLVATION EFFECTS ON THE CONFORMATIONAL EQUILIBRIUM OF DIMETHOXYETHANE, The Journal of chemical physics, 102(4), 1995, pp. 1722-1730
Authors:
NJO SL
VANGUNSTEREN WF
MULLERPLATHE F
Citation: Sl. Njo et al., DETERMINATION OF FORCE-FIELD PARAMETERS FOR MOLECULAR SIMULATION BY MOLECULAR SIMULATION - AN APPLICATION OF THE WEAK-COUPLING METHOD, The Journal of chemical physics, 102(15), 1995, pp. 6199-6207
Authors:
BERWEGER CD
VANGUNSTEREN WF
MULLERPLATHE F
Citation: Cd. Berweger et al., FORCE-FIELD PARAMETRIZATION BY WEAK-COUPLING - REENGINEERING SPC WATER, Chemical physics letters, 232(5-6), 1995, pp. 429-436
Authors:
LIU HY
MULLERPLATHE F
VANGUNSTEREN WF
Citation: Hy. Liu et al., A FORCE-FIELD FOR LIQUID DIMETHYL-SULFOXIDE AND PHYSICAL-PROPERTIES OF LIQUID DIMETHYL-SULFOXIDE CALCULATED USING MOLECULAR-DYNAMICS SIMULATION, Journal of the American Chemical Society, 117(15), 1995, pp. 4363-4366
Authors:
MULLERPLATHE F
Citation: F. Mullerplathe, PERMEATION OF POLYMERS - A COMPUTATIONAL APPROACH, Acta polymerica, 45(4), 1994, pp. 259-293
Authors:
SCOTT W
MULLERPLATHE F
VANGUNSTEREN WF
Citation: W. Scott et al., MOLECULAR-DYNAMICS STUDY OF THE MIXING AND DEMIXING OF A BINARY LENNARD-JONES FLUID, Molecular physics, 82(5), 1994, pp. 1049-1062
Authors:
MULLERPLATHE F
VANGUNSTEREN WF
Citation: F. Mullerplathe et Wf. Vangunsteren, CAN SIMPLE QUANTUM-CHEMICAL CONTINUUM MODELS EXPLAIN THE GAUCHE EFFECT IN POLY(ETHYLENE OXIDE), Macromolecules, 27(21), 1994, pp. 6040-6045
Authors:
MULLERPLATHE F
SCOTT W
VANGUNSTEREN WF
Citation: F. Mullerplathe et al., PARALLACS - A BENCHMARK FOR PARALLEL MOLECULAR-DYNAMICS, Computer physics communications, 84(1-3), 1994, pp. 102-114