价值中国 - 财经商业新媒体
读书
正在读取登录信息...
图书详细信息 推荐图书 | 最新书评
Computational Chemistry: Reviews of Current Trends

作者:Jerzy Leszczynski 著

出版社:国防科技大学出版社

出版日期:2005年06月
内容简介
This book presents an overview of recent progress in computational techniques as well as examples of the application of existing computational methods in different areas of chemistry, physics, and biochemistry. Introductory chapters cover a broad range of fundamental topics, including: state-of-the-art basis set expansion methods for computing atomic and molecular electronic structures based on the use of relativistic quantum mechanics; the most recent developments in Hartreeock methods, particularly in techniques suited for very large systems; the current analysis of the soluteolvent free energy of interaction and the physical bases used to evaluate the electrostatic, cavitation, and dispersion terms; an introduction to the additive fuzzy electron density fragmentation scheme within various ab initio Hartreeock quantum-chemical computational schemes, which has provided the means for generating representative molecular fragment densities characteristic to their local environment within a molecule. This book also features a review of recent ab initio calculations on the structure and interactions of DNA bases, a chapter on computational approaches to the design of safer drugs and their molecular properties, and a systematic conceptual study on a route which allows one to stuff fullerenes.
发表书评
本书标签
为此书添加标签:(多个标签用空格分隔)
图书购买信息
请对此书作出评价
请您登录后为此书评分



目前还没有人对此书评分
新书快递
广东联合出版公司 | 机械工业出版社 | 南京大学出版社 | 清华大学出版社 | 时代光华 | 人民邮电出版社 | 文汇出版社 | 中国经济出版社 | 中国青年出版社 | 中信出版社
浙江大学出版社 | 作家出版社 | 湛庐文化 | 长江文艺出版社 | 华章经管 | 经济日报出版社 | 中国城市出版社 | 财政出版社 | 中华工商联合出版社 | 新星出版社
重庆出版集团 | 人民文学出版社 | 中资海派 | 电子工业出版社世纪波公司 | 中国电力出版社 | 道中财富 | 含章行文 | 同舟人文化 | 华章同人