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机译:N-甲基对硝基苯胺的溶剂化自由能和水合结构
Department of Chemical and Biomolecular Engineering, University of Delaware, Newark, DE 19716, United States;
机译:Accurate prediction of hydration free energies and solvation structures using molecular density functional theory with a simple bridge functional
机译:Hydration free energies and solvation structures with molecular density functional theory in the hypernetted chain approximation
机译:Microsolvation of phenol in water: structures, hydration free energy and enthalpy
机译:(Battery Division Student Research Award Sponsored by Mercedes-Benz Research Development) Sustainable High-Performance Lithium-Ion Batteries: Aqueous Processing of Cobalt-Free High-Energy Cathodes
机译:Membrane Permeability Prediction of Drug-like Molecules with Molecular Dynamics and Free Energy Calculations =基于分子动力学和自由能计算 的药物分子膜渗透性预测
机译:STRUCTURE PLOT:用于在用户友好的界面中绘制精美的STRUCTURE条形图的程序
机译:Industrial structure optimization in central China under the energy constraint
机译:K1,3-Free和W4-Free图