initio的例句大全

The anisotropy which is neglected in CFT calculations is considered in ab initio ones.

进一步计算杂质Cr3十进入A12O3后对周围晶格的影响,发现Cr3+对其第三近邻原子的影响仍不可忽略.

The agreement was declared void ab initio.

此协议自一开始就被宣布无效。

We assume that the sex of the lion is ab initio _ indeterminate.

我们假设狮子的性别在一开始是不确定的.

These four parameters, and b are calculated by ab initio method in this paper.

本论文针对上述四个重要的参数作了量子力学的从头计算.

The energy bands and density of states were calculated using the VASP ab-initio simulation package program.

在此基础上计算了化合物的能带结构和电子能态密度.

The later one, named as ab initio prediction method, can forecast the recognition sequence independently.

基于人工智能的方法又称从头预测算法, 可相对独立地对待识别序列进行预测.

The structure changes of forced out PPS were analyzed with ab initio calculation.

通过量子化学计算,对挤出后PPS结构变化进行了理论分析.

An invalid or canceled contract is not legally binding ab initio.

第五十六条无效的合同或者被撤销的合同自始没有法律约束力.

Ab Initio Studies on Some Borane Ions and Their Derivatives

一些硼烷离子及其衍生物的理论研究

An Ab Initio MO Study of the Microscopic Branching Mechanism for Reaction H+ ClF → HCl+ F

H+ClF→HCl+F微观分支反应机理的从头算分子轨道法研究

Effect of External Electric Field in Electron Transfer An Ab Initio Calculation for Electron Transfer Between Benzene and Benzene Cation Radical

电子转移的外电场效应&苯分子与苯正离子自由基间电子转移的从头算研究

An ab initio calculation was performed on the study of electronic states of MoCl_2~ ( 2+) and MoCl_4 using relativistic effective core potential ( RECP) for molybdenum, and non-relativistic ECP for chlorine.

应用相对论等效实势（ECP）从头计算方法（HF+CI）研究了钼原子簇碎片MoCl2~（2+）和MoCl4的电子结构及其反应活性。

The program of Ab Initio LCAO SCF MO Calculations Using GTF as Basis Sets

以高斯函数为基组的自洽场分子轨道从头计算程序