1·The agreement was declared void ab initio.
此协议自一开始就被宣布无效。
—— 《牛津词典》
2·How to change a string delimiter in Ab Initio?
如何改变从头字符串分隔符？
3·Conventional ab initio methods are hard to apply to the large molecular...
而传统的从头计算所需要的计算量太大，很难应用到较大体系。
4·The structure and chemical bonds of 1-Fluorosiltrane have been studied by ab initio method.
本文用量子化学从头计算方法研究了1-苯基杂氮硅三环的电子结构和化学键。
5·With such a system one can run short ab initio molecular dynamics simulations for perhaps up to 100 ps.
在这样的体系里面，可以进行一个短的从头算来进行分子动力学模拟，或许可以达到100 ps。
6·The efficiency of gene prediction could be improved by ab initio prediction combined with EST information.
利用这些特征可以提高特定序列中这三类元件的预测效率。
7·The reaction of HNO with o radical was investigated by density functional theory (DFT) and ab initio methods.
用密度泛函理论(DFT)和从头算方法，对HNO与O自由基反应进行了研究。
8·It is very easy to apply this optimization approach to various semi-empirical and ab initio molecular orbital calculation.
该法容易应用到各种半经验的和从头计算量子化学的方法中去。
9·Ab initio molecular orbital method has been employed, in this paper, to study the mechanism of the hydrolysis of acetylcholine.
本文对乙酰胆碱水解反应历程进行了从头算分子轨道研究。
10·Ab initio molecular orbital method has been empolyed, in this paper, to study the mechanism of the hydrolysis of acetylcholine.
本文对乙酰胆碱水解反应历程进行了从头算分子轨道研究。
1·Ab initio molecular orbital method has been employed, in this paper, to study the mechanism of the hydrolysis of acetylcholine.
本文对乙酰胆碱水解反应历程进行了从头算分子轨道研究。
2·The calculation results showed that Ab initio had its advantages in the calculating of atom cluster, especially in the aspect of precision and total energy calculation.
计算结果表明：从头计算方法用于原子簇的计算在精度和总能量计算方面有其自身的优势；
3·This paper discusses the quantum chemistry ab initio calculation method and some semi-empirical calculation methods frequently used on the electronic structure.
对电子结构计算中常用的量子化学从头算方法及几种量子化学半经验计算方法进行了讨论。
4·This kind of molecular material has strong nonlinear optical properties, and its electronic structures and dipole moments are calculated by use of density functional theory on ab initio level.
该分子材料具有较强的非线性光学性质，其分子的电子结构和电偶极矩是在密度泛函理论水平上利用从头计算方法得到的。
5·The article elaborates the method of adding pseudo - potential to ab initio calculation to solve problems in multi - electron system.
文章介绍了在从头计算方法中加入赝势来求解多电子体系问题的方法。