| 查看: 375 | 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
22408 344分 求调剂 一志愿 华电计算机技术
已经有4人回复
-
材料专硕英一数二306
已经有7人回复
-
南京大学化学376求调剂
已经有6人回复
-
南昌大学材料专硕311分求调剂
已经有5人回复
-
295求调剂
已经有6人回复
-
一志愿南昌大学，327分，材料与化工085600
已经有9人回复
-
294求调剂材料与化工专硕
已经有15人回复
-
308求调剂
已经有3人回复
-
321求调剂
已经有11人回复
-
一志愿中海洋材料工程专硕330分求调剂
已经有8人回复
简单回复
2008-07-01 11:25
回复
jzhousd3楼
2008-07-02 08:11
回复
