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机译:通过极化离子模型电位的分子动力学模拟研究了熔融AgCl、AgI及其共晶混合物的结构
Departament de Física i Enginyeria Nuclear, Universitàat Politècnica de Catalunya, Campus Nord UPC B4-B5, 08034 Barcelona, Spain;
机译:Static and dynamic structure of Pu3+ in molten LiCl-KCl eutectic revealed by first-principles molecular dynamics simulations
机译:On the composition dependence of the microscopic structure, thermodynamic, dynamic and dielectric properties of water-dimethyl formamide model mixtures. Molecular dynamics simulation results
机译:Exploration of potential RSK2 inhibitors by pharmacophore modelling, structure-based 3D-QSAR, molecular docking study and molecular dynamics simulation