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Results: 1-16 |
Results: 16
Accuracy of free-energy perturbation calculations in molecular simulation.II. Heuristics
Authors: Lu, ND Kofke, DA
Citation: Nd. Lu et Da. Kofke, Accuracy of free-energy perturbation calculations in molecular simulation.II. Heuristics, J CHEM PHYS, 115(15), 2001, pp. 6866-6875
A general-purpose biasing scheme for Monte Carlo simulation of associatingfluids
Authors: Wierzchowski, S Kofke, DA
Citation: S. Wierzchowski et Da. Kofke, A general-purpose biasing scheme for Monte Carlo simulation of associatingfluids, J CHEM PHYS, 114(20), 2001, pp. 8752-8762
Accuracy of free-energy perturbation calculations in molecular simulation.I. Modeling
Authors: Lu, ND Kofke, DA
Citation: Nd. Lu et Da. Kofke, Accuracy of free-energy perturbation calculations in molecular simulation.I. Modeling, J CHEM PHYS, 114(17), 2001, pp. 7303-7311
Improved thermodynamic equation of state for hydrogen fluoride (vol 38, pg4129, 1999)
Authors: Visco, DP Kofke, DA
Citation: Dp. Visco et Da. Kofke, Improved thermodynamic equation of state for hydrogen fluoride (vol 38, pg4129, 1999), IND ENG RES, 39(1), 2000, pp. 242-242
Solid-fluid equilibrium: Insights from simple molecular models
Authors: Monson, PA Kofke, DA
Citation: Pa. Monson et Da. Kofke, Solid-fluid equilibrium: Insights from simple molecular models, ADV CH PHYS, 115, 2000, pp. 113-179
Freezing of polydisperse hard spheres
Authors: Kofke, DA Bolhuis, PG
Citation: Da. Kofke et Pg. Bolhuis, Freezing of polydisperse hard spheres, PHYS REV E, 59(1), 1999, pp. 618-622
Improved thermodynamic equation of state for hydrogen fluoride
Authors: Visco, DP Kofke, DA
Citation: Dp. Visco et Da. Kofke, Improved thermodynamic equation of state for hydrogen fluoride, IND ENG RES, 38(10), 1999, pp. 4125-4129
A comparison of molecular-based models to determine vapor-liquid phase coexistence in hydrogen fluoride
Authors: Visco, DP Kofke, DA
Citation: Dp. Visco et Da. Kofke, A comparison of molecular-based models to determine vapor-liquid phase coexistence in hydrogen fluoride, FLU PH EQUI, 160, 1999, pp. 37-47
Semigrand canonical Monte Carlo simulation; Integration along coexistence lines
Authors: Kofke, DA
Citation: Da. Kofke, Semigrand canonical Monte Carlo simulation; Integration along coexistence lines, ADV CH PHYS, 105, 1999, pp. 405-441
Optimal intermediates in staged free energy calculations
Authors: Lu, ND Kofke, DA
Citation: Nd. Lu et Da. Kofke, Optimal intermediates in staged free energy calculations, J CHEM PHYS, 111(10), 1999, pp. 4414-4423
Exact solution for the singlet density distributions and second-order correlations of normal-mode coordinates for hard rods in one dimension
Authors: Barnes, CD Kofke, DA
Citation: Cd. Barnes et Da. Kofke, Exact solution for the singlet density distributions and second-order correlations of normal-mode coordinates for hard rods in one dimension, J CHEM PHYS, 110(23), 1999, pp. 11390-11398
Modeling the Monte Carlo simulation of associating fluids
Authors: Visco, DP Kofke, DA
Citation: Dp. Visco et Da. Kofke, Modeling the Monte Carlo simulation of associating fluids, J CHEM PHYS, 110(12), 1999, pp. 5493-5502
Reply to comments on "Convection-diffusion of solutes in media with piecewise constant transport properties"
Authors: Vaidya, DS Nitsche, JM Diamond, SL Kofke, DA
Citation: Ds. Vaidya et al., Reply to comments on "Convection-diffusion of solutes in media with piecewise constant transport properties", CHEM ENG SC, 54(5), 1999, pp. 715-715
Evaluation of a locus of azeotropes by molecular simulation
Authors: Pandit, SP Kofke, DA
Citation: Sp. Pandit et Da. Kofke, Evaluation of a locus of azeotropes by molecular simulation, AICHE J, 45(10), 1999, pp. 2237-2244
Thermodynamic integration along coexistence lines
Authors: Kofke, DA Henning, JA
Citation: Da. Kofke et Ja. Henning, Thermodynamic integration along coexistence lines, TH COMP CHE, 7, 1999, pp. 99-127
Heat effects of hydrogen fluoride from two thermodynamic models
Authors: Visco, DP Juwono, E Kofke, DA
Citation: Dp. Visco et al., Heat effects of hydrogen fluoride from two thermodynamic models, INT J THERM, 19(4), 1998, pp. 1111-1120
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