| 查看: 338 | 回复: 3 | ||
| 【奖励】 本帖被评价3次，作者gyliu增加金币 3 个 | ||
| 当前主题已经存档。 | ||
[资源]
Electronic Structure Modeling
|
||
|
Electronic Structure Modeling: Connections Between Theory and Software CRC| 2008-05-28 | ISBN: 0849384060 | 504 pages | PDF | 4.8 MB Computational chemistry, including electronic structure modeling, is a fast and accurate tool for treating large chemically meaningful systems. Unique among current quantum chemistry texts, Electronic Structure Modeling: Connections Between Theory and Software enables nonspecialists to employ computational methods in their own investigations. The text illustrates theoretical methods with numerical detail and model calculations. It clarifies what these modeling programs can do, their known pathologies, which ones are suited for specific kinds of projects, and how to reproduce them using the accompanying PC-LOBE bundled software. While elucidating gradient-based molecular structure optimization, the text reviews notable successes and unsolved problems or failures in electronic structure modeling. It also describes the theory and computation of circular dichroism and optical rotation, including magnetically induced optical phenomena. Offering an accessible introduction to computational methods, Electronic Structure Modeling permits users to practice modeling with a full understanding of the algorithms that support their calculations. http://depositfiles.com/files/6239518 http://rapidshare.com/files/1253 ... ucture_Modeling.rar  |
回复此楼» 猜你喜欢
博士读完未来一定会好吗
已经有27人回复
-
投稿精细化工
已经有4人回复
-
高职单位投计算机相关的北核或SCI四区期刊推荐，求支招！
已经有4人回复
-
导师想让我从独立一作变成了共一第一
已经有9人回复
-
到新单位后，换了新的研究方向，没有团队，持续积累2区以上论文，能申请到面上吗
已经有11人回复
-
读博
已经有4人回复
-
JMPT 期刊投稿流程
已经有4人回复
-
心脉受损
已经有5人回复
-
Springer期刊投稿求助
已经有4人回复
-
小论文投稿
已经有3人回复
简单回复
2008-07-01 11:25
回复
jzhousd3楼
2008-07-02 08:11
回复