出版社:世界图书出版公司北京公司
出版日期:2004-05-01
ISBN:9787506250948
作者:Martin.J.Field
书籍目录
目录:1. Preliminaries; 2. The coordinate file; 3. Operations on coordinates; 4. The energy function; 5. Setting up the molecular mechanics system; 6. Finding stationary points and reaction paths; 7. Nor
作者简介
作者单位:Laboratoire de Dynamique Moléculaire, Grenoble
内容简介:This book provides a practical introduction to the range of different techniques available for the simulation of molecular systems. The text