| 查看: 560 | 回复: 6 | ||
| 【奖励】 本帖被评价6次，作者westyouday增加金币 5.5 个 | ||
| 当前主题已经存档。 | ||
[资源]
推荐《Computer Modeling in Inorganic Crystallography》
|
||
|
Computer Modeling in Inorganic Crystallography By C.R.A. Catlow --------------------------------------------------------------------------------  Publisher: Academic Press Number Of Pages: 340 Publication Date: 1997-02-17 ISBN-10 / ASIN: 012164135X ISBN-13 / EAN: 9780121641351 Binding: Hardcover -------------------------------------------------------------------------------- Book Description: Computer simulation techniques are now having a major impact on almost all areas of the physical and biological sciences. This book concentrates on the application of these methods to inorganic materials, including topical and industrially relevant systems including zeolites and high Tc superconductors. The central theme of the book is the use of modern simulation techniques as a structural tool in solid state science. Computer Modelling in Inorganic Crystallography describes the current range of techniques used in modeling crystal structures, and strong emphasis is given to the use of modeling in predicting new crystal structures and refining partially known structures. It also reviews new opportunities being opened up by electronic structure calculation and explains the ways in which these techniques are illuminating our knowledge of bonding in solids. Key Features * Includes a thorough review of the technical basis of relevant contemporary methodologies including minimization, Monte-Carlo, molecular dynamics, simulated annealing methods, and electronic structure methods * Highlights applications to amorphous and crystalline solids * Surveys simulations of surface and defect properties of solids * Discusses applications to molecular and inorganic solids 下载链接 http://rapidshare.com/files/95818791/Computer_Modeling.pdf |
回复此楼» 猜你喜欢
在MOF中，有没有羧基参加配位的情况
已经有2人回复
-
招2026年入学上海交通大学博士生，急！！！
已经有1人回复
-
无机化学论文润色/翻译怎么收费?
已经有273人回复
-
理论计算合作
已经有0人回复
-
求高校合作
已经有1人回复
-
27级无机化学申博自荐
已经有2人回复
-
Chemdraw免费软件
已经有0人回复
-
单晶结构解析，各类疑难晶体数据处理和答疑
已经有38人回复
-
这个水相反应有没有催化剂促进发生
已经有4人回复
-
Mn Me3TACN
已经有5人回复
3楼2008-03-01 21:19:21
4楼2008-03-02 01:59:38
5楼2008-03-03 08:19:40
6楼2008-03-05 07:27:26
简单回复
2008-03-01 15:17
回复
100