24小时热门版块排行榜

返回列表

当前主题已经存档。

xiaxue_121

木虫 (正式写手)

应助: 3 (幼儿园)
金币: 2668.6
红花: 2
帖子: 395
在线: 264.1小时
虫号: 363929
注册: 2007-05-07
性别: GG
专业: 不对称有机催化

[交流] Computational Organic Chemistry

Computational Organic Chemistry

Publisher: Wiley-Interscience
Number Of Pages: 496
Publication Date: 2007-07-16

"[This book] collects together, largely for the first time, a series of chapters dedicated to all the ways in which molecular modeling/computational chemistry can impact organic chemistry."
-Christopher J. Cramer, author of Essentials ofComputational Chemistry: Theories and Models

Computational Organic Chemistry provides a practical overview of the ways in which computational modeling methods and applications can be used in organic chemistry to predict the structure and reactivity of organic molecules. After a concise survey of computational methods, the book presents in-depth case studies that show how various computational methods have provided critical insight into the nature of organic mechanisms. With a focus on methodologies, this unique resource:
*Discusses simple molecular properties, pericyclic reactions, carbenes and radicals, anion chemistry, solvent effects, and more
*Features sidebars that offer a personal look at some of the leading practitioners in the field
*Conveys the strengths and limitations of each method, so that readers develop a feel for the correct "tool" to use in the context of a specific problem
*Further informs readers with a supporting Web site that provides links to materials cited and features a blog that discusses and provides links to new relevant articles at www.trinity.edu/sbachrac/coc/

This is a great reference for practicing physical organic and computational chemists, as well as a thought-provoking textbook for graduate-level courses in computational chemistry and organic chemistry.

下载链接:http://www.isload.com.cn/store/girwm4dm2bvtn

仅供个人学习，请勿他用，否则后果自负

作者为了这本书开了一个blog: http://hackberry.chem.trinity.edu/blog/
感谢tutu2000提供的blog地址，祝早日升级成木虫

[ Last edited by xiaxue_121 on 2008-1-29 at 10:15 ]

回复此楼