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Results: 1-22 |
Results: 22
CONFORMATIONAL DISTRIBUTION OF TETRAMETHOXYCALIX[4]ARENES BY MOLECULAR MODELING AND NMR-SPECTROSCOPY - A STUDY OF APOLAR SOLVATION
Authors: VANHOORN WP BRIELS WJ VANDUYNHOVEN JPM VANVEGGEL FCJM REINHOUDT DN
Citation: Wp. Vanhoorn et al., CONFORMATIONAL DISTRIBUTION OF TETRAMETHOXYCALIX[4]ARENES BY MOLECULAR MODELING AND NMR-SPECTROSCOPY - A STUDY OF APOLAR SOLVATION, Journal of organic chemistry, 63(4), 1998, pp. 1299-1308
MOLECULAR-DYNAMICS OF POLYMER GROWTH
Authors: AKKERMANS RLC TOXVAERD S BRIELS WJ
Citation: Rlc. Akkermans et al., MOLECULAR-DYNAMICS OF POLYMER GROWTH, The Journal of chemical physics, 109(7), 1998, pp. 2929-2940
EFFICIENT SAMPLING OF SOLVENT-FREE ENERGIES IN POLYMERS
Authors: VANDERVEGT NFA BRIELS WJ
Citation: Nfa. Vandervegt et Wj. Briels, EFFICIENT SAMPLING OF SOLVENT-FREE ENERGIES IN POLYMERS, The Journal of chemical physics, 109(17), 1998, pp. 7578-7582
THE CALCULATION OF FREE-ENERGY DIFFERENCES BY CONSTRAINED MOLECULAR-DYNAMICS SIMULATIONS
Authors: DENOTTER WK BRIELS WJ
Citation: Wk. Denotter et Wj. Briels, THE CALCULATION OF FREE-ENERGY DIFFERENCES BY CONSTRAINED MOLECULAR-DYNAMICS SIMULATIONS, The Journal of chemical physics, 109(11), 1998, pp. 4139-4146
A NONEQUILIBRIUM SIMULATION METHOD FOR CALCULATING TRACER DIFFUSION-COEFFICIENTS OF SMALL SOLUTES IN N-ALKANE LIQUIDS AND POLYMERS
Authors: VANDERVEGT NFA BRIELS WJ WESSLING M STRATHMANN H
Citation: Nfa. Vandervegt et al., A NONEQUILIBRIUM SIMULATION METHOD FOR CALCULATING TRACER DIFFUSION-COEFFICIENTS OF SMALL SOLUTES IN N-ALKANE LIQUIDS AND POLYMERS, The Journal of chemical physics, 108(22), 1998, pp. 9558-9565
COMMENTS ON THE PAPER NUMERICAL-SIMULATION OF THE GAS-SOLID FLOW IN AFLUIDIZED-BED BY COMBINING DISCRETE PARTICLE METHOD WITH COMPUTATIONAL FLUID-DYNAMICS
Authors: HOOMANS BPB KUIPERS JAM BRIELS WJ VANSWAAIJ WPM
Citation: Bpb. Hoomans et al., COMMENTS ON THE PAPER NUMERICAL-SIMULATION OF THE GAS-SOLID FLOW IN AFLUIDIZED-BED BY COMBINING DISCRETE PARTICLE METHOD WITH COMPUTATIONAL FLUID-DYNAMICS, Chemical Engineering Science, 53(14), 1998, pp. 2645-2646
DIELECTRIC-CONSTANT AND STRUCTURE OF LIQUID 18-CROWN-6 CALCULATED FROM MOLECULAR-DYNAMICS SIMULATIONS
Authors: LEUWERINK FTH BRIELS WJ
Citation: Fth. Leuwerink et Wj. Briels, DIELECTRIC-CONSTANT AND STRUCTURE OF LIQUID 18-CROWN-6 CALCULATED FROM MOLECULAR-DYNAMICS SIMULATIONS, JOURNAL OF PHYSICAL CHEMISTRY B, 101(6), 1997, pp. 1024-1034
CRYSTAL-GROWTH OF THE LENNARD-JONES(100) SURFACE BY MEANS OF EQUILIBRIUM AND NONEQUILIBRIUM MOLECULAR-DYNAMICS
Authors: BRIELS WJ TEPPER HL
Citation: Wj. Briels et Hl. Tepper, CRYSTAL-GROWTH OF THE LENNARD-JONES(100) SURFACE BY MEANS OF EQUILIBRIUM AND NONEQUILIBRIUM MOLECULAR-DYNAMICS, Physical review letters, 79(25), 1997, pp. 5074-5077
MOLECULAR-DYNAMICS SIMULATIONS OF FREE-ENERGY AND CONFORMATIONAL TRANSITION RATES OF CALIX[4]ARENE IN CHLOROFORM
Authors: DENOTTER WK BRIELS WJ
Citation: Wk. Denotter et Wj. Briels, MOLECULAR-DYNAMICS SIMULATIONS OF FREE-ENERGY AND CONFORMATIONAL TRANSITION RATES OF CALIX[4]ARENE IN CHLOROFORM, The Journal of chemical physics, 107(13), 1997, pp. 4968-4978
DIFFUSIVE MOTIONS IN LIQUID 18-CROWN-6 - A MOLECULAR-DYNAMICS STUDY
Authors: BRIELS WJ LEUWERINK FTH
Citation: Wj. Briels et Fth. Leuwerink, DIFFUSIVE MOTIONS IN LIQUID 18-CROWN-6 - A MOLECULAR-DYNAMICS STUDY, The Journal of chemical physics, 106(19), 1997, pp. 8140-8148
THE REACTIVE FLUX METHOD APPLIED TO COMPLEX ISOMERIZATION-REACTIONS -USING THE UNSTABLE NORMAL-MODE AS A REACTION COORDINATE
Authors: DENOTTER WK BRIELS WJ
Citation: Wk. Denotter et Wj. Briels, THE REACTIVE FLUX METHOD APPLIED TO COMPLEX ISOMERIZATION-REACTIONS -USING THE UNSTABLE NORMAL-MODE AS A REACTION COORDINATE, The Journal of chemical physics, 106(13), 1997, pp. 5494-5508
CRITICAL ANALYSIS OF NONNUCLEAR ELECTRON-DENSITY MAXIMA AND THE MAXIMUM-ENTROPY METHOD
Authors: DEVRIES RY BRIELS WJ FEIL D
Citation: Ry. Devries et al., CRITICAL ANALYSIS OF NONNUCLEAR ELECTRON-DENSITY MAXIMA AND THE MAXIMUM-ENTROPY METHOD, Physical review letters, 77(9), 1996, pp. 1719-1722
FREE-ENERGY CALCULATIONS OF SMALL MOLECULES IN DENSE AMORPHOUS POLYMERS - EFFECT OF THE INITIAL GUESS CONFIGURATION IN MOLECULAR-DYNAMICS STUDIES
Authors: VANDERVEGT NFA BRIELS WJ WESSLING M STRATHMANN H
Citation: Nfa. Vandervegt et al., FREE-ENERGY CALCULATIONS OF SMALL MOLECULES IN DENSE AMORPHOUS POLYMERS - EFFECT OF THE INITIAL GUESS CONFIGURATION IN MOLECULAR-DYNAMICS STUDIES, The Journal of chemical physics, 105(19), 1996, pp. 8849-8857
DISCRETE PARTICLE SIMULATION OF BUBBLE AND SLUG FORMATION IN A 2-DIMENSIONAL GAS-FLUIDIZED BED - A HARD-SPHERE APPROACH
Authors: HOOMANS BPB KUIPERS JAM BRIELS WJ VANSWAAIJ WPM
Citation: Bpb. Hoomans et al., DISCRETE PARTICLE SIMULATION OF BUBBLE AND SLUG FORMATION IN A 2-DIMENSIONAL GAS-FLUIDIZED BED - A HARD-SPHERE APPROACH, Chemical Engineering Science, 51(1), 1996, pp. 99-118
CHARGE-DENSITY STUDY WITH THE MAXIMUM-ENTROPY METHOD ON MODEL DATA OFSILICON - A SEARCH FOR NONNUCLEAR ATTRACTORS
Authors: DEVRIES RY BRIELS WJ FEIL D TEVELDE G BAERENDS EJ
Citation: Ry. Devries et al., CHARGE-DENSITY STUDY WITH THE MAXIMUM-ENTROPY METHOD ON MODEL DATA OFSILICON - A SEARCH FOR NONNUCLEAR ATTRACTORS, Canadian journal of chemistry, 74(6), 1996, pp. 1054-1058
PREDICTION OF CRYSTAL-GROWTH MORPHOLOGY BASED ON STRUCTURAL-ANALYSIS OF THE SOLID-FLUID INTERFACE
Authors: LIU XY BOEK ES BRIELS WJ BENNEMA P
Citation: Xy. Liu et al., PREDICTION OF CRYSTAL-GROWTH MORPHOLOGY BASED ON STRUCTURAL-ANALYSIS OF THE SOLID-FLUID INTERFACE, Nature, 374(6520), 1995, pp. 342-345
ROOT-MEAN-SQUARE DIPOLE-MOMENT AND NEUTRON-SCATTERING FUNCTION OF 18-CROWN-6 IN CYCLOHEXANE - COMPARISON OF 3 POTENTIAL MODELS
Authors: LEUWERINK FTH BRIELS WJ
Citation: Fth. Leuwerink et Wj. Briels, ROOT-MEAN-SQUARE DIPOLE-MOMENT AND NEUTRON-SCATTERING FUNCTION OF 18-CROWN-6 IN CYCLOHEXANE - COMPARISON OF 3 POTENTIAL MODELS, Journal of physical chemistry, 99(45), 1995, pp. 16549-16557
ANALYSIS OF MORPHOLOGY OF CRYSTALS BASED ON IDENTIFICATION OF INTERFACIAL STRUCTURE
Authors: LIU XY BOEK ES BRIELS WJ BENNEMA P
Citation: Xy. Liu et al., ANALYSIS OF MORPHOLOGY OF CRYSTALS BASED ON IDENTIFICATION OF INTERFACIAL STRUCTURE, The Journal of chemical physics, 103(9), 1995, pp. 3747-3754
THE DIPOLE-MOMENT OF 18-CROWN-6 - MOLECULAR-DYNAMICS STUDY OF THE STRUCTURE AND DYNAMICS OF THE MACROCYCLE IN VACUO AND IN CYCLOHEXANE
Authors: LEUWERINK FTH BRIELS WJ
Citation: Fth. Leuwerink et Wj. Briels, THE DIPOLE-MOMENT OF 18-CROWN-6 - MOLECULAR-DYNAMICS STUDY OF THE STRUCTURE AND DYNAMICS OF THE MACROCYCLE IN VACUO AND IN CYCLOHEXANE, The Journal of chemical physics, 103(11), 1995, pp. 4637-4652
MOLECULAR-DYNAMICS SIMULATIONS OF YTTRIA-STABILIZED ZIRCONIA
Authors: BRINKMAN HW BRIELS WJ VERWEIJ H
Citation: Hw. Brinkman et al., MOLECULAR-DYNAMICS SIMULATIONS OF YTTRIA-STABILIZED ZIRCONIA, Chemical physics letters, 247(4-6), 1995, pp. 386-390
NOVEL TREATMENT OF THE EXPERIMENTAL-DATA IN THE APPLICATION OF THE MAXIMUM-ENTROPY METHOD TO THE DETERMINATION OF THE ELECTRON-DENSITY DISTRIBUTION FROM X-RAY EXPERIMENTS
Authors: DEVRIES RY BRIELS WJ FEIL D
Citation: Ry. Devries et al., NOVEL TREATMENT OF THE EXPERIMENTAL-DATA IN THE APPLICATION OF THE MAXIMUM-ENTROPY METHOD TO THE DETERMINATION OF THE ELECTRON-DENSITY DISTRIBUTION FROM X-RAY EXPERIMENTS, Acta crystallographica. Section A, Foundations of crystallography, 50, 1994, pp. 383-391
INTERFACES BETWEEN A SATURATED AQUEOUS UREA SOLUTION AND CRYSTALLINE UREA - A MOLECULAR-DYNAMICS STUDY
Authors: BOEK ES BRIELS WJ FEIL D
Citation: Es. Boek et al., INTERFACES BETWEEN A SATURATED AQUEOUS UREA SOLUTION AND CRYSTALLINE UREA - A MOLECULAR-DYNAMICS STUDY, Journal of physical chemistry, 98(6), 1994, pp. 1674-1681
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