Ab initio calculations:: A user's guide

被引：0

作者：

Evans, TA ^{[1
]}

机构：

[1] Queens Univ Belfast, Sch Chem, Belfast BT9 5AG, Antrim, North Ireland

来源：

CRYSTAL ENGINEERING: THE DESIGN AND APPLICATION OF FUNCTIONAL SOLIDS | 1999年 / 539卷

关键词：

D O I：

暂无

中图分类号：

O7 [晶体学];

学科分类号：

0702 ; 070205 ; 0703 ; 080501 ;

摘要：

This paper offers an overview of the ab initio theories which are useful to chemists, and provides a guide to the commercial packages which are currently available for use by the crystal engineer.

引用

页码：99 / 111

页数：13

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