出版時間:2004-05-01 出版社:世界圖書出版公司北京公司 作者:Martin.J.Field
內(nèi)容概要
作者單位:Laboratoire de Dynamique Moléculaire, Grenoble
內(nèi)容簡介:This book provides a practical introduction to the range of different techniques available for the simulation of molecular systems. The text
書籍目錄
目錄: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
圖書封面
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