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小木虫论坛-学术科研互动平台 » 计算模拟区 » 第一性原理 » 其他 » 【分享】电子结构与分子模拟书籍总汇（80多本）
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dwma

铁杆木虫 (正式写手)

[资源] 【分享】电子结构与分子模拟书籍总汇（80多本）

理论化学(量子化学和计算化学等)电子书汇总

量子生物学简介
http://www.docin.com/p-22415602.html
量子生物学
http://www.docin.com/p-10546119.html
量子生物学
http://www.chinabaike.com/article/316/332/2007/2007021946451.html



1.唐敖庆 量子化学
http://www.91files.com/?HRJC79KSY5FXC78FU1FT
http://www.docin.com/p-9849099.html
2 .徐光宪[等]编著  量子化学基本原理和从头计算法（上、中、下册）
http://www.91box.net/?6QL8GY4GI6CIXMZQ0Z3Q
http://home.imhb.cn/indexCF/home ... spx?MSAutoID=162135
3.量子化学基本原理与从头算习题集
http://www.bylm.net/www/22/122508.html
http://www.docin.com/p-9848670.html
http://www.docin.com/p-15678667.html
4.江元生 分子模拟讲义
http://www.91files.com/?K9YJQCEWCP0IRDK4O3EL
http://www.91box.net/?K9YJQCEWCP0IRDK4O3EL
5.计算机辅助药物设计 陈凯先
http://blog.imhb.cn/Blog/BlogDetail.aspx?bid=80399
6. 趣谈量子化学
http://www.docin.com/p-34388345.html
http://bbs.sciencenet.cn/showtopic-62271.aspx
7. 图解量子化学
http://home.imhb.cn/indexCF/home ... spx?MSAutoID=128059
http://www.docin.com/p-2460547.html
http://bbs.sciencenet.cn/showtopic-57876.aspx
8. 计算方法讲义
http://www.docin.com/p-34457232.html
9. 清华大学计算量子化学讲义
http://www.docin.com/p-27709192.html
http://www.docin.com/p-7187050.html
http://filedown.imhb.cn/myspace/ ... f9f60e3ba3371703b54
量子力学-清华大学讲义（庄鹏飞）
http://www.docin.com/p-102242.html
10. 南京大学量子化学
http://www.namipan.com/d/%e5%8d% ... ae95d1d6da507722100
http://www.docin.com/app/searchn ... 0%E5%8C%96%E5%AD%A6
11. .量子化学理论基础
http://www.docin.com/p-13651649.html
12. chemistry for the 21st Century
http://www.docin.com/p-5419275.html
13.量子化学在药物设计中的应用
http://www.docin.com/p-32358490.html
14. Essentials of Computational Chemistry Theories and Models
http://www.docin.com/p-19105749.html
http://www.namipan.com/d/Essenti ... 68ae9ce9fc1dfe3d000

15. Computational Chemistry Using the PC (2003)
http://www.docin.com/p-2391867.html
http://www.namipan.com/d/Computa ... 885d5389d0d52ed4900

16. Chemistry of Drugs (New Chemistry)
http://www.docin.com/p-21732471.html
17. Physical Chemistry of Macromolcule
http://www.docin.com/p-24093073.html
18.Principle of Organic Medicine chemistry
http://www.docin.com/p-34010136.html
19. PHYSICS AND chemistry BASIS OF BIOTECHNOLOGY
http://www.docin.com/p-25827647.html
20. Physical chemistry_ Third Edition
http://www.docin.com/p-33553135.html

21-50 Reviews in Computational Chemistry, Volume 01-25
http://home.imhb.cn/indexCF/home ... =0&catalogname=所有文件Reviews in Computational Chemistry, Volume1-25
http://www.mdbbs.org/archiver/tid-8692.html
http://www.docin.com
51. Reviews in Computational Chemistry, Volume 26
http://ifile.it/9shrznu/0470388390.rar
http://www.filefactory.com/file/af6a239/n/0470388390_rar
http://www.megaupload.com/?d=PEMYISB3
http://depositfiles.com/files/kspyk1kvd


52.计算机辅助药物设计导论－叶德泳
http://d.namipan.com/d/%e8%ae%a1 ... 0a5f0be188812239400
http://d.namipan.com/d/00ba01a38 ... 0a5f0be188812239400


53.Computational Medicinal Chemistry for Drug Discovery
http://download.csdn.net/source/666443
http://www.namipan.com/d/Computa ... 885d5389d0d52ed4900
http://download.csdn.net/source/1362928

54.Computational Chemistry A Practical Guide for Applying Techniques toReal-World Problems.
http://www.docin.com/p-19105509.html
http://www.namipan.com/d/Computa ... b636a1eb7cc94834000

55. Computational Chemistry
http://home.imhb.cn/indexCF/home ... spx?MSAutoID=147242

56.Computational Chemistry. Introduction to the Theory and Applications of Molecular and QuantumMechanics
http://www.namipan.com/d/Computa ... 29ad32c0c687d70dc00

57.Computational Chemistry And Molecular Modeling Principles And Applications - Springer 2008
http://www.namipan.com/d/Computa ... c33bafde2d41aaa5200

58.HyperChem Computational Chemistry.
http://d.namipan.com/d/da6eb4608 ... 24a2d055d44bd442300

59.Computational Organometallic Chemistry
http://www.91box.net/?YXK6QKGE86X1P1JH5EUB

60.Introduction To Computational Chemistry-And Quantum Chemistry
http://www.91box.net/?ISNC8F1NMP4FTG2D2S9B
------------------------------------------------------------------
61-70  Quantum Mechanics In chemistry
http://muchong.com/bbs/viewthread.php?tid=1033382&fpage=5

Quantum Mechanics In chemistry - Jack Simons

Introduction to Quantum Mechanics with Applications to Chemistry

Modern Quantum Chemistry - Szabo Ostlund

Introduction to Quantum Theory and Atomic Structure - P. A. Cox

Fundamentals of Quantum Chemistry Molecular Spectroscopy and Modern

Electronic Structure Computations - Michael Mueller

PRINCIPLES OF QUANTUM MECHANICS as Applied to Chemistry and

Chemical Physics - DONALD D. FITTS

Propagators in Quantum Chemistry 2nd Ed - Jan Linderberg

Quantum Medicinal Chemistry - Paolo Carloni

Molecular Electronic-Structure Theory Part 1 - Trygve Helgaker

Molecular Electronic-Structure Theory Part 2 - Trygve Helgaker

Strategies and Applications in Quantum Chemistry From Molecular

Astrophysics to Molecular Engineering - Y. ELLINGER

----------------------------------------------------------------------------------
71.Quantum Chemistry for the Excited State An Overview
http://www.namipan.com/d/Quantum ... cited%20State%20An%

20Overview.pdf/60bb5450467a22cca1f1cc45cf1c9b40f777797f347e2f00
72.Chemoinformatics-Concepts_Methods_and_Tools_for_Drug_Discover.rar
http://rapidshare.com/files/7232 ... r_Drug_Discover.rar
73. Comprehensive Medicinal Chemistry II
http://home.imhb.cn/indexCF/home ... spx?MSAutoID=148050
http://download.csdn.net/source/666443
74.Molecular dynamics simulation Elementary Methods
http://download.csdn.net/source/702447

75. 分子模拟-陈正隆
http://www.mdbbs.org/thread-251-1-2.html
http://d.namipan.com/d/%e5%88%86 ... %88%e6%ad%a3%e9%9a%

76. Molecular Modelling Principles And Applications 2Ed
http://download.csdn.net/source/666427

77.分子轨道从头计算法-W.G.理查德
http://www.namipan.com/d/%e5%88% ... 8f%a4%e4%bc%af.pdf/

78. Introduction to  Ab Initio Molecular Dynamics
http://home.imhb.cn/indexCF/home ... spx?MSAutoID=167344
http://www.docin.com/p-1181347.html
79.Molecular Orbital Theory
http://www.namipan.com/d/Molecul ... a88f9753af6824cb200

80.Notes on Molecular Orbital Calculations
http://www.namipan.com/d/Notes%2 ... 48f61f50d8e1b4b3200

81.Electronic Structure Modeling -Connections between Theory and Software
http://www.namipan.com/d/Electro ... 0c40bac0e2c95a94100

82.The Concept of the Potential Energy Surface
http://www.namipan.com/d/The%20C ... ergy%20Surface.pdf/




注:

电子书在 http://www.docin.com/ 上的主要为网上阅读(下载恐积分不易.)
                    http://www.docin.com/    要注册,积分易, 回复即得分.
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1楼2009-11-26 14:50:22
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huangyc

木虫 (正式写手)

★★★★★ 五星级,优秀推荐

谢谢LZ
不过不少链接都无法下载，一些论坛或网站需要注册和积分，比较麻烦

五星！
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freer007

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谢谢楼主，我收藏了，这么多的书，也不知道何时才会看。
有时候不是缺书，而是由于种种原因没有看。
不知楼主看了其中的几本？
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quantum999

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非常好的资源！
感谢！
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5楼2009-11-26 20:41:06
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孙?�730

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支持一下，建议设为精华！
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warmhouse12楼
2009-11-27 09:10   回复  
 支持呀！！！！！！
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