物理化学学报2016，Vol.32Issue(12)：2921-2931,11.DOI:10.3866/PKU.WHXB201609193
应用ABEEMσπ极化力场对Zn2+水溶液配位微结构和水交换反应进行分子动力学模拟研究
Study on Coordination Microstructure and Water Exchange Reaction of Zn2+ Aqueous Solutions through Molecular Dynamics Simulations Using the ABEEMσπ Polarizable Force Field
摘要
关键词
ABEEMσπ极化力场/分子动力学模拟/水交换反应/径向分布函数/电荷分析/平均配位驻留时间Key words
ABEEMσπ polarizable force field/Molecular dynamic simulation/Water exchange reaction/Radial distribution function/Charge analysis/Mean ligand residence time分类
化学化工引用本文复制引用
赫兰兰,郭宇,赵健,姜新蕊,杨忠志,赵东霞..应用ABEEMσπ极化力场对Zn2+水溶液配位微结构和水交换反应进行分子动力学模拟研究[J].物理化学学报,2016,32(12):2921-2931,11.基金项目
The project was supported by the National Natural Science Foundation of China (21133005,21473083),General Project of Education Department of Liaoning Province,China (L2014426),and Laboratory Opening Program of Liaoning Normal University,China (cx20160111).国家自然科学基金(21133005,21473083),辽宁省教育厅一般项目(L2014426)和辽宁师范大学实验室开放项目(cx20160111)资助 （21133005,21473083）
