| 查看: 1301 | 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
求助中医院临床中医中标的青年标书学习，谢谢
已经有6人回复
-
浙大物院表面物理课题组长期招收普博及直博学生
已经有259人回复
-
物理学I论文润色/翻译怎么收费?
已经有259人回复
-
【征稿】Springer Nature热电专题 Discover Materials / Discover Chemistry
已经有47人回复
-
25届硕士申请，材料计算方向
已经有2人回复
-
课题组招1-2名硕士
已经有1人回复
-
机时越来越贵之后，我把一部分 DFT 流程搬到了 AI 计算平台上
已经有0人回复
-
斯坦福大学与Elsevier世界前2%学者新排名查询
已经有1人回复
-
27申博推荐：南京航空航天大学国际前沿院光学方向招收博士生！
已经有19人回复
-
华南师范大学+双一流学科物理学+广东省杰青团队2027年博士招生+机器学习驱动材料设计
已经有1人回复
-
apl投稿状态
已经有2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