Wayne *** is a University Professor at Columbia University and an Investigator with the Howard Hughes Medical *** has a *** the University of Wisconsin at River Falls and a *** biophysics from Johns Hopkins University...
Wayne *** is a University Professor at Columbia University and an Investigator with the Howard Hughes Medical *** has a *** the University of Wisconsin at River Falls and a *** biophysics from Johns Hopkins University based on work with Warner *** postdoctoral research was with Jerome Karle at the Naval Research Laboratory(NRL).He
电子密度是密度泛函理论的基本量,它的一个重要来源是高分辨率单晶X光衍射(sin>1.0)。传统的IAM(Independent Atom Model)因其忽略晶体中原子相互作用引起的电子密度的变型、电子转移(Charge Transfer)而只能给出原子位置和热振动信...
电子密度是密度泛函理论的基本量,它的一个重要来源是高分辨率单晶X光衍射(sin>1.0)。传统的IAM(Independent Atom Model)因其忽略晶体中原子相互作用引起的电子密度的变型、电子转移(Charge Transfer)而只能给出原子位置和热振动信息;对于氢原子位置的指定存在较大的系统误差;无法解释共价键,造成了衍射信息的巨大浪费。随着现代衍射技术的发展,获得高分辨率的单晶X光衍射数据变得更加容易。以电子密
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