The accuracy of several density functionals for exchange energy (LDA,B88,BR89,B2000,VSX and CPX,a composite functional proposed in the present paper) has been examined through the calculation of a series of atoms and molecules by means of DFT method with different exchange potential functionals.
通过对原子和分子体系的密度泛函计算检验了LDA、B88、BR89、B2 0 0 0、VSX和作者提出的CPX等 6种交换能密度泛函的精度。
The ion-exchange capability of polypropylene anion exchange fiber for Cr(Ⅵ) was studied.
研究了苯乙烯系聚丙烯基阴离子交换纤维对Cr(Ⅵ)的交换性能,考察了酸度、温度和流速等因素对交换性能的影响。
Though two ways of approximating get the same orbital wave function and total energy,the exchange energy,Coulomb energy and oneelectron energy,they compose the total energy,take different proportions in the two methods.
虽然两种近似得出相同的总能量以及相同的轨道波函数,但是总能量在单电子能量、库仑能量和交换能量三者之间的相对分布不相同。
Synthesis of Doped-Type Ion Exchanger and Study of Its Exchange Property
掺杂型离子交换剂的制备及其交换性能研究
The Preparation of Inorganic Ion Exchanger and the Research on Its Ion-exchange Property
无机离子交换剂的制备及其交换性能研究
Research on Performance of OC-label-based Optical Packet Switching
基于光码标记的光分组交换性能研究
RESEARCH ON EXCHANGE PERFORMANCE OF WACR BY FIA-ISE METHOD
基于FIA-ISE测定WACR交换性能的研究
Study on the physical properties and ion exchange performance of the domestic clinoptilolite
国产天然斜发沸石的物性及离子交换性能研究
the quality of being incapable of exchange or interchange.
不能交流或交换的性质。
Research on the Performance of Switch Thermal Storage Type Energy Recovery Exchanger and for Its Saving Energy Analysis;
换向蓄热式全热交换器的性能研究及节能分析
testing method for ion exchange resin
粒子交换树脂性能测试方法
Adsorption Properties of Cation Ion-exchange Fiber for UDMH
离子交换纤维对偏二甲肼的吸附性能
Study of TCP Performance over OBS Networks;
光突发交换网络中TCP性能的研究
Simulation and Performance Analysis of Scheduling Algorithms for EPFTS;
EPFTS交换调度算法仿真与性能分析
Performance and Morphology Studies Based on Composite Proton Exchange Membranes
复合型质子交换膜的结构与性能研究
Investigation on Mechanical Properties of Proton Exchange Membrane in Fuel Cells
燃料电池用质子交换膜力学性能研究
Preparation and Characterizations of P(AMPS-SR) Proton Exchange Membrane
P(AMPS-SR)质子交换膜的制备与性能表征
Research on Bio-diesel Prepared by Intersterification and Its Properities
酯交换法制备生物柴油及其性能研究
Study on B-Reno's performance over packet switching networks
基于分组交换网络的B-Reno性能研究
Performance Analysis of Reconfigurable Multi-Plane and Multi-Stage Packet Switching Technology
可重构MPMS分组交换技术的性能分析
Research on As(Ⅴ) removal performance of ion exchange fiber
离子交换纤维除As(Ⅴ)性能研究
