The agreement was declared void ab initio.

此协议自一开始就被宣布无效。

How to change a string delimiter in Ab Initio?

如何改变从头字符串分隔符？

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。

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。

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。