| 查看: 1047 | 回复: 15 | ||
| 【奖励】 本帖被评价15次，作者darliu增加金币 15 个 | ||
| 当前主题已经存档。 | ||
[资源]
COMPUTATIONAL CHEMISTRY: Reviews of Current Trends
|
||
|
by Jerzy Leszczynski Paperback: 344 pages Publisher: World Scientific Publishing Company; New Ed edition (June 1, 2006) Language: English ISBN-10: 9812567429 ISBN-13: 978-9812567420 PDF 14.4 Mb The gap between experimental objects and models for calculations in chemistry is being bridged. The size of experimental nano-objects is decreasing, while reliable calculations are feasible for larger and larger molecular systems. The results of these calculations for isolated molecules are becoming more relevant for experiments. However, there are still significant challenges for computational methods. This series of books presents reviews of current advances in computational methodologies and applications. Chapter 1 of this volume provides an overview of the theoretical and numerical aspects in the development of the polarizable continuum model (PCM). Chapter 2 demonstrates a multiplicative scheme used to estimate the properties of two- and three-dimensional clusters from the properties of their one-dimensional components. Chapter 3 discusses the application of ab initio methods for a reliable evaluation of the characteristics of hydrogen-bonded and van der Waals complexes. Ab initio quantum-chemical methods are popular among researchers investigating various aspects of DNA. The properties of DNA base polyads linked by base–base hydrogen bonds are reviewed in Chapter 4, while Chapter 5 reviews the primary radiation-induced defects in nucleic acid building blocks, and how DNA can be influenced by chemical and environmental effects. Finally, Chapter 6 discusses available experimental data of DNA bases, base pairs, and their complexes with water. http://depositfiles.com/files/4651631 http://w16.easy-share.com/1700095199.html |
回复此楼» 猜你喜欢
【修正版】单环用磁约束低速电子实验方案（简化版）
已经有0人回复
-
桂林理工大学物理学专业招收调剂，还有三个名额！！！
已经有22人回复
-
物理学I论文润色/翻译怎么收费?
已经有59人回复
-
考博自荐
已经有4人回复
-
山东大学第二批博士研究生招生
已经有0人回复
-
中国科学院东莞材料科学与技术研究所-2026年博士招生-吴昊研究员-磁学与自旋电子学
已经有0人回复
-
《电磁学》教材推荐
已经有1人回复
-
【急招】合肥工大核聚变材料计算方向2026级工程博士生
已经有4人回复
-
大豆异黄酮分离
已经有0人回复
-
湖南大学材料学院急招2026年博士生，临时增加一名博士联培指标
已经有10人回复
-
天津理工大学晶体材料全国重点实验室刘红军教授课题组招收博士生1-2名
已经有0人回复
2楼2008-04-10 22:57:41
3楼2008-04-11 09:16:12
谢谢！ 5楼2008-04-11 16:08:33
6楼2008-04-15 19:34:52
7楼2008-07-01 12:32:22
8楼2008-07-02 09:01:20
9楼2008-07-02 11:52:04
简单回复
saitou4楼
2008-04-11 15:44
回复
好！顶一下
