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Results: 24
Authors:
LIEM SY
KRESSE G
CLARKE JHR
Citation: Sy. Liem et al., FIRST PRINCIPLES CALCULATION OF OXYGEN-ADSORPTION AND RECONSTRUCTION OF CU(110) SURFACE, Surface science, 415(1-2), 1998, pp. 194-211
Authors:
FORESTER TR
SMITH W
CLARKE JHR
Citation: Tr. Forester et al., ANTIBIOTIC-ACTIVITY OF VALINOMYCIN - MOLECULAR-DYNAMICS SIMULATIONS INVOLVING THE WATER MEMBRANE INTERFACE/, Journal of the Chemical Society. Faraday transactions, 93(4), 1997, pp. 613-619
Authors:
NEELOV IM
CLARKE JHR
DARINSKII AA
GOTLIB YY
LYULIN SV
TORCHINSKII FI
Citation: Im. Neelov et al., MATHEMATICAL-MODELING OF THE CONFORMATION AL PROPERTIES AND DYNAMICS OF ORIENTED POLYMER-CHAINS, Vysokomolekularnye soedinenia. Seria A, 39(3), 1997, pp. 483-492
Authors:
LIEM SY
CLARKE JHR
Citation: Sy. Liem et Jhr. Clarke, CALCULATION OF COULOMB INTERACTIONS IN 2-DIMENSIONALLY PERIODIC-SYSTEMS, Molecular physics, 92(1), 1997, pp. 19-25
Authors:
NEYERTZ S
BROWN D
CLARKE JHR
Citation: S. Neyertz et al., THE LOCAL ENERGY APPROXIMATION AND THE PREDICTABILITY OF CHAIN CONFIGURATIONS IN POLYMER MELTS, The Journal of chemical physics, 105(5), 1996, pp. 2076-2088
Authors:
YONG CW
CLARKE JHR
FREIRE JJ
BISHOP M
Citation: Cw. Yong et al., THE THETA-CONDITION FOR LINEAR POLYMER-CHAINS IN CONTINUOUS SPACE AND3 DIMENSIONS, The Journal of chemical physics, 105(21), 1996, pp. 9666-9673
Authors:
BROWN D
CLARKE JHR
OKUDA M
YAMAZAKI T
Citation: D. Brown et al., A LARGE-SCALE MOLECULAR-DYNAMICS STUDY OF CHAIN CONFIGURATIONS IN THEN=100 ALKANE MELT, The Journal of chemical physics, 104(5), 1996, pp. 2078-2082
Authors:
FORESTER TR
SMITH W
CLARKE JHR
Citation: Tr. Forester et al., MOLECULAR-DYNAMICS SIMULATIONS OF VALINOMYCIN AND ITS POTASSIUM COMPLEX IN HOMOGENEOUS SOLVENTS, Biophysical journal, 71(2), 1996, pp. 544-553
Authors:
RUBIO AM
FREIRE JJ
BISHOP M
CLARKE JHR
Citation: Am. Rubio et al., THETA-STATE, TRANSITION CURVES, AND CONFORMATIONAL PROPERTIES OF CYCLIC CHAINS, Macromolecules, 28(7), 1995, pp. 2240-2246
Authors:
FORESTER TR
SMITH W
CLARKE JHR
Citation: Tr. Forester et al., CAPTURE OF POTASSIUM-IONS BY VALINOMYCIN - A MOLECULAR-DYNAMICS SIMULATION STUDY, Journal of physical chemistry, 99(39), 1995, pp. 14418-14423
A MOLECULAR-DYNAMICS STUDY OF THE COUPLING OF TORSIONAL MOTIONS TO SELF-DIFFUSION IN LIQUID N-HEXANE
Authors:
TRAVIS KP
BROWN D
CLARKE JHR
Citation: Kp. Travis et al., A MOLECULAR-DYNAMICS STUDY OF THE COUPLING OF TORSIONAL MOTIONS TO SELF-DIFFUSION IN LIQUID N-HEXANE, The Journal of chemical physics, 102(5), 1995, pp. 2174-2180
Authors:
RUBIO AM
FREIRE JJ
CLARKE JHR
YONG CW
BISHOP M
Citation: Am. Rubio et al., CHARACTERIZATION OF THE THETA-STATE AND TRANSITION CURVES OF OFF-LATTICE 3-DIMENSIONAL CHAINS, The Journal of chemical physics, 102(5), 1995, pp. 2277-2281
Authors:
BISHOP M
CLARKE JHR
FREIRE JJ
Citation: M. Bishop et al., STRUCTURE-FUNCTION OF LINEAR AND STAR POLYMERS IN THE SMALL WAVE VECTOR REGIME, The Journal of chemical physics, 102(12), 1995, pp. 5094-5099
Authors:
BROWN D
CLARKE JHR
OKUDA M
YAMAZAKI T
Citation: D. Brown et al., A DOMAIN DECOMPOSITION PARALLEL-PROCESSING ALGORITHM FOR MOLECULAR-DYNAMICS SIMULATIONS OF POLYMERS (VOL 83, PG 1, 1994), Computer physics communications, 86(3), 1995, pp. 312-312
Authors:
NEELOV IM
CLARKE JHR
Citation: Im. Neelov et Jhr. Clarke, BROWNIAN DYNAMICS OF POLYMERIC CHAIN IN STRONG EXTERNAL-FIELD, Macromolecular symposia, 81, 1994, pp. 55-62
Authors:
BROWN D
CLARKE JHR
Citation: D. Brown et Jhr. Clarke, A COMPARISON OF CONSTANT ENERGY, CONSTANT-TEMPERATURE AND CONSTANT-PRESSURE ENSEMBLES IN MOLECULAR-DYNAMICS SIMULATIONS OF ATOMIC LIQUIDS (VOL 51, PG 1243, 1984), Molecular physics, 83(4), 1994, pp. 867-867
Authors:
TORRES AM
RUBIO AM
FREIRE JJ
BISHOP M
CLARKE JHR
Citation: Am. Torres et al., DISTRIBUTION OF DISTANCES BETWEEN UNITS IN 2-DIMENSIONAL EXCLUDED-VOLUME CHAINS, Macromolecules, 27(13), 1994, pp. 3483-3486
Authors:
FORESTER TR
SMITH W
CLARKE JHR
Citation: Tr. Forester et al., A MOLECULAR-DYNAMICS STUDY OF VALINOMYCIN AND THE POTASSIUM-VALINOMYCIN COMPLEX, Journal of physical chemistry, 98(38), 1994, pp. 9422-9430
Authors:
BROWN D
CLARKE JHR
OKUDA M
YAMAZAKI T
Citation: D. Brown et al., THE PREPARATION OF POLYMER MELT SAMPLES FOR COMPUTER-SIMULATION STUDIES, The Journal of chemical physics, 100(8), 1994, pp. 6011-6018
Authors:
BROWN D
CLARKE JHR
OKUDA M
YAMAZAKI T
Citation: D. Brown et al., A MOLECULAR-DYNAMICS STUDY OF CHAIN CONFIGURATIONS IN N-ALKANE-LIKE LIQUIDS, The Journal of chemical physics, 100(2), 1994, pp. 1684-1692
Authors:
TORRES AM
RUBIO AM
FREIRE JJ
BISHOP M
CLARKE JHR
Citation: Am. Torres et al., THETA-STATE AND COLLAPSE OF OFF-LATTICE CHAINS IN 2 DIMENSIONS, The Journal of chemical physics, 100(10), 1994, pp. 7754-7758
Authors:
BROWN D
CLARKE JHR
OKUDA M
YAMAZAKI T
Citation: D. Brown et al., A DOMAIN DECOMPOSITION PARALLEL-PROCESSING ALGORITHM FOR MOLECULAR-DYNAMICS SIMULATIONS OF POLYMERS, Computer physics communications, 83(1), 1994, pp. 1-13
Authors:
BAGGALEY A
BISHOP M
CLARKE JHR
DAVIS LE
KING TA
LEIGH DA
MAYERS FR
MOHEBATI A
MUNN RW
SHABAT MM
SZCZUR O
WEST D
WILLIAMS JO
Citation: A. Baggaley et al., DESIGN OF LANGMUIR-BLODGETT-FILMS FOR NONLINEAR OPTICS, Molecular crystals and liquid crystals science and technology. Section A, Molecular crystals and liquid crystals, 234, 1993, pp. 483-490
Authors:
RUBIO AM
FREIRE JJ
BISHOP M
CLARKE JHR
Citation: Am. Rubio et al., DISTRIBUTION OF DISTANCES BETWEEN DIFFERENT (END OR INNER) UNITS IN THETA AND EXCLUDED-VOLUME POLYMER-CHAINS, Macromolecules, 26(15), 1993, pp. 4018-4022
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