difference n. 1.[C,U]不同,差别,区别 2.[U]差额,差 3.[C]意见分歧,不和 density n. 1.[U]密集,稠密,密度,浓度 2.[C,U](物)密度 3.[U](计)密度(磁盘存储数据可用空间) charge n. 1.[C] 费用,价钱,索价 2.[U] 掌管;照顾;责任 3.[C] 被照顾的人(或事物) 4.[C] 控告,指控(+...
ichthyornis.bokee.com|基于17个网页 2. 电荷差分密度 ...ELF+Bader 最近的一个工作 我师姐建议做下电荷差分密度(charge density difference) 我没做过 请大家帮忙 谢了先! emuch.net|基于 1 个网页
charge density difference)的过程是这样的，首先计算所构造晶胞的charge density, 然后仍使用原来自洽计算...
采用Material Studio软件中的CASTEP模块进行能量计算 勾选项目：Electron Density Difference差分电荷密度 但...
Charge density difference of system AB: ∆ρ = ρ AB − ρ A − ρ B NOTE: In calculation of the latter two quantities, the atomic positions are fixed as those they have in the AB system. In VASP, three calculations should be perform to obtain the charge density of AB, A, and...
However, this modification of the mean-field analysis, while solving one problem, is seen to create a new problem in the fit to the data. In this work we present an alternative analysis: We maintain unit occupation probability for the 3s1/2 orbital but use the medium-modified proton ...
It is conventionally believed that solutions of so called "free" Maxwellequations for \varrho=0 (density of charge) describe the free electromagneticfield in empty space (if one considers the free field as a field, whose fluxlines neither begin nor end in a charge). We consider three types...
with peptide charge density as the major determinant of enzymatic activity. Mechanistic analysis reveals that coacervates form a distinct chemical environment in which peptide sequence determines concentrations of Mg2+(an important cofactor of ribozyme reactions) without the need for a membrane. Our result...
网络释义 1. 差分图 ...ation charge density)和 二次差分图(difference charge density)等等,加自旋极化的工作还可能有自旋极化电荷密度图 (s… www.docin.com|基于66个网页 2. 差分电荷密度图 ...ormation charge density)和差分电荷密度图(difference charge density)等等,加自旋极化的工作还可能有自旋极化电...
差分电荷密度(differencechargedensity)图像有种怒发冲冠的感觉。请看下左右上下的尖尖,那是什么意思,请知道的童靴交流交流,蟹蟹啦微信截图_20180308104752.png 第一性原理 Vasp&MedeA