71 |
Hydration structures of vanadium/oxovanadium cations in the presence of sulfuric acid: A molecular dynamics simulation study Zhang N, Yang BY, Huo J, Qi WX, Zhang XP, Ruan XH, Bao JJ, He GH Chemical Engineering Science, 195, 683, 2019 |
72 |
Dissolution of polycyclic aromatic hydrocarbons in subcritical and supercritical Water: A molecular dynamics simulation study Qu H, Gong JH, Tan XC, Yuan PQ, Cheng ZM, Yuan WK Chemical Engineering Science, 195, 958, 2019 |
73 |
Solvent-mediated morphology selection of the active pharmaceutical ingredient isoniazid: Experimental and simulation studies Han D, Karmakar T, Bjelobrk Z, Gong J, Parrinello M Chemical Engineering Science, 204, 320, 2019 |
74 |
Energy analysis of a surfactant micelle's deformation by coarse-grained molecular dynamics simulations Zhou WJ, Liu F, Liu DJ, Chen F, Wei JJ Chemical Engineering Science, 202, 138, 2019 |
75 |
Effects of cosolvent on dissolution behaviors of PVAc in supercritical CO2: A molecular dynamics study Gong HJ, Zhang H, Xu L, Li YJ, Dong MZ Chemical Engineering Science, 206, 22, 2019 |
76 |
Towards an understanding of the microstructure and interfacial properties of the ionic liquid/sulfuric acid catalyst in liquid-liquid reactions Zheng WZ, Cao P, Sun WZ, Zhao L Chemical Engineering Science, 205, 287, 2019 |
77 |
Molecular dynamics characterization of the water-methane, ethane, and propane gas mixture interfaces Mirzaeifard S, Servio P, Rey AD Chemical Engineering Science, 208, 2019 |
78 |
A permeation model of shale gas in cylindrical-like kerogen pores at geological conditions Sun JJ, Liu ZP, Cao DP Chemical Engineering Science, 207, 457, 2019 |
79 |
A molecular dynamics simulation study on the inhibition performance controlled by salt concentration Yan YG, Hou QG, Zhang YN, Zhou LX, Zhang J Chemical Physics Letters, 715, 335, 2019 |
80 |
Effects of temperature, strain rate and molecule length on the deformation of graphene/polyethylene composites: A molecular dynamics simulation Li JY, Zhao JQ, Ren PJ, Dong H, Meng B, Hu SQ Chemical Physics Letters, 726, 39, 2019 |