화학공학소재연구정보센터
검색결과 : 5건
No. Article
1 Evaluation of the Performance of GAFF and CGenFF in the Prediction of Liquid-Vapor Saturation Properties of Naphthalene Derivatives
Kumar V, Rane KS, Wierzchowski S, Shaik M, Errington JR
Industrial & Engineering Chemistry Research, 53(41), 16072, 2014
2 Liquid-Vapor Phase Behavior of Asphaltene-like Molecules
Rane KS, Kumar V, Wierzchowski S, Shaik M, Errington JR
Industrial & Engineering Chemistry Research, 53(45), 17833, 2014
3 Calculation of Liquid Water-Hydrate-Methane Vapor Phase Equilibria from Molecular Simulations
Jensen L, Thomsen K, von Solms N, Wierzchowski S, Walsh MR, Koh CA, Sloan ED, Wu DT, Sum AK
Journal of Physical Chemistry B, 114(17), 5775, 2010
4 UB association bias algorithm applied to the simulation of hydrogen fluoride
Wierzchowski S, Kofke DA
Fluid Phase Equilibria, 194, 249, 2002
5 A general-purpose biasing scheme for Monte Carlo simulation of associating fluids
Wierzchowski S, Kofke DA
Journal of Chemical Physics, 114(20), 8752, 2001