| 查看: 657 | 回复: 4 | |||
| 当前主题已经存档。 | |||
flydragon76至尊木虫 (著名写手)
|
[交流]
CRC 08 New Book:Electronic Structure Modeling(已搜无重复）
|
||
Electronic Structure Modeling: Connections Between Theory and Software  Electronic Structure Modeling: Connections Between Theory and Software By Carl Trindle, Donald Shillady Publisher: CRC Number Of Pages: 504 Publication Date: 2008-05-28 ISBN-10 / ASIN: 0849384060 ISBN-13 / EAN: 9780849384066 Binding: Hardcover 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://www.filefactory.com/file/ ... y_and_Software_pdf/ http://rapidshare.com/files/125247041/ESMO.rar |
回复此楼» 猜你喜欢
[武汉纺织大学]材料学院[姜伟团队名称]课题组-2026年硕士研究生调剂信息
已经有0人回复
-
中国科学院·过程工程研究所·招聘海内外高层次人才---过程所“百人计划”
已经有1人回复
-
有机高分子材料论文润色/翻译怎么收费?
已经有261人回复
-
中国科学院·过程工程研究所·招聘海内外高层次人才---过程所“百人计划”
已经有5人回复
-
2026考博自荐
已经有4人回复
-
温敏水凝胶收缩
已经有0人回复
-
PDMS膜在溶液中的离子透过率
已经有0人回复
-
攒人品 论文祈福
已经有139人回复
-
science advances的AAAS系统上返修
已经有0人回复
-
science advances的AAAS系统上返修问题
已经有2人回复
-
LDPE黑十字为什么那么大
已经有0人回复
gyliu
铁杆木虫 (职业作家)
- 应助: 335 (大学生)
- 金币: 16377.7
- 散金: 9
- 红花: 128
- 帖子: 3258
- 在线: 513小时
- 虫号: 327449
- 注册: 2007-03-19
- 性别: GG
- 专业: 凝聚态物性I:结构、力学和
2楼2008-07-04 21:23:02
 |
3楼2008-07-06 19:56:27
 谢谢分享 |
4楼2008-10-13 14:52:50
5楼2008-10-17 09:12:21
20