| 查看: 432 | 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
售SCI一区文章，我:8.O.551.O.5.4,科目全,可伽急
已经有8人回复
-
售SCI一区T0P文章，我:8O.55.1.O.5.4,科目齐全,可+急
已经有8人回复
-
售SCI一区文章，我:8.O.551.O.5.4,科目全,可伽急
已经有9人回复
-
找导师
已经有8人回复
-
售SCI-T0P文章，我:8O.5.5.1.O.54,科目齐全,可+急
已经有5人回复
-
售SCI一区T0P文章，我:8.O55.1.O.54,科目全,可十急
已经有9人回复
-
面上没中，邀请各位路过的虫友分析一下分数
已经有3人回复
-
售一区SCI文章T0P，我:8O.551.O54,科目全,可十急
已经有8人回复
-
售SCI一区T0P文章，我:8O.55.1.O.54,科目全,可伽急
已经有11人回复
-
售SCI一区文章，我:8.O.551.O.5.4,科目全,可伽急
已经有6人回复
简单回复
2008-07-01 11:25
回复
jzhousd3楼
2008-07-02 08:11
回复
