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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·The energy bands and density of states were calculated using the VASP(Vienna 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。

9·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。

10·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。

(1)ab initio（拉）从头开始