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Quantum corrections to the kinetic energy and the ab initio-based prediction of the thermodynamic properties and vapor-liquid equilibria of hydrogenJOURNAL OF CHEMICAL PHYSICSIF3.12025-03-280OA
An intermolecular potential for hydrogen: Classical molecular simulation of pressure-density-temperature behavior, vapor-liquid equilibria, and critical and triple point properties氢的分子间势: 压力-密度-温度行为,汽液平衡以及临界点和三相点特性的经典分子模拟JOURNAL OF CHEMICAL PHYSICSIF3.12023-05-156OA
Accurate determination of solid-liquid equilibria by molecular simulation: Behavior of Ne, Ar, Kr, and Xe from low to high pressuresJOURNAL OF CHEMICAL PHYSICSIF3.12022-11-284PRE
Effect of the range of particle cohesion on the phase behavior and thermodynamic properties of fluidsJOURNAL OF CHEMICAL PHYSICSIF3.12020-12-228PREAI
Combining intermolecular potentials for the prediction of fluid properties: Two-body and three-body interactionsJOURNAL OF CHEMICAL PHYSICSIF3.12020-12-074PREAI
Vapor-liquid equilibria and cohesive r-4 interactionsJOURNAL OF CHEMICAL PHYSICSIF3.12020-11-305PREAI
Fully a priori prediction of the vapor-liquid equilibria of Ar, Kr, and Xe from ab initio two-body plus three-body interatomic potentialsJOURNAL OF CHEMICAL PHYSICSIF3.12019-07-1918PREAI
Flow of water through carbon nanotubes predicted by different atomistic water modelsJOURNAL OF CHEMICAL PHYSICSIF3.12019-05-2120PREAI
Two-body interatomic potentials for He, Ne, Ar, Kr, and Xe from ab initio dataJOURNAL OF CHEMICAL PHYSICSIF3.12019-04-0441PREAI
Two-body intermolecular potentials from second virial coefficient properties (vol 150, 024503, 2019)JOURNAL OF CHEMICAL PHYSICSIF3.12019-02-210OAAI
Second virial coefficient properties of the n-m Lennard-Jones/Mie potential (vol 149, 074504, 2018)JOURNAL OF CHEMICAL PHYSICSIF3.12019-02-214OAAI
Two-body intermolecular potentials from second virial coefficient propertiesJOURNAL OF CHEMICAL PHYSICSIF3.12019-01-1014PREAI
Second virial coefficient properties of the n-m Lennard-Jones/Mie potentialJOURNAL OF CHEMICAL PHYSICSIF3.12018-08-2031PREAI
Ab initio interatomic potentials and the thermodynamic properties of fluidsJOURNAL OF CHEMICAL PHYSICSIF3.12017-07-1317PREAI
Predicting vapor-liquid phase equilibria with augmented ab initio interatomic potentialsJOURNAL OF CHEMICAL PHYSICSIF3.12017-06-2715PREAI
Molecular simulation of the thermodynamic, structural, and vapor-liquid equilibrium properties of neonJOURNAL OF CHEMICAL PHYSICSIF3.12016-09-0824PREAI
Molecular simulation of fluids with non-identical intermolecular potentials: Thermodynamic properties of 10-5+12-6 Mie potential binary mixturesJOURNAL OF CHEMICAL PHYSICSIF3.12015-02-2513PREAI
Mg2+ coordinating dynamics in Mg:ATP fueled motor proteinsJOURNAL OF CHEMICAL PHYSICSIF3.12014-03-188PREAI