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gromacs

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性別: GG
專業(yè): 理論和計(jì)算化學(xué)

[交流] 【分享】計(jì)算化學(xué)雜志，系列叢書(shū)，教材和參考書(shū)，一些網(wǎng)絡(luò)資源已有13人參與

雜志，叢書(shū)：

1. Advances in Molecular Modeling
2. Chemical Informatics Letters
3. Chemical Modelling: Applications and Theory
4. Computational and Theoretical Polymer Science
5. Computers and Chemistry
6. International Journal of Quantum Chemistry
7. Journal of Biomolecular Structure and Dynamics
8. Journal of Chemical Information and Computer Science
9. Journal of Chemometrics
10. Journal of Computational Chemistry
11. Journal of Computer-Aided Materials Design
12. Journal of Computer-Aided Molecular Design
13. Journal of Mathematical Chemistry
14. Journal of Molecular Graphics and Modelling
15. Journal of Molecular Modeling
16. Journal of Molecular Structure
17. Journal of Molecular Structure: THEOCHEM
18. Macromolecular Theory and Simulations
19. Molecular Simulation
20. Quantitative Structure-Activity Relationships
21. Reviews in Computational Chemistry
22. SAR and QSAR in Environmental Research
23. Structural Chemistry
24. Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Formerly
Theoretica Chimica Acta)
更多的還有：
1. Advances in Chemical Physics
2. Advances in Drug Research
3. Annual Review of Biochemistry
4. Annual Review of Biophysics and Bioengineering
5. Annual Review of Biophysics and Biomolecular Structure
6. Annual Review of Physical Chemistry
7. Biochemistry
8. Biophysical Journal
9. Biopolymers
10. Chemical Reviews
11. Chemometrics and Intelligent Laboratory Systems
12. Computer Applications in the Biosciences
13. Current Opinions in Biotechnology
14. Current Opinions in Structural Biology
15. Drug Design and Discovery
16. Drug Discovery Today
17. Journal of Chemical Physics
18. Journal of Mathematical Biology
19. Journal of Medicinal Chemistry
20. Journal of Molecular Biology
21. Journal of Organic Chemistry
22. Journal of Physical Chemistry
23. Journal of the American Chemical Society
24. Journal of Theoretical Biology
25. Modern Drug Discovery
26. Perspectives in Drug Discovery and Design
27. Protein Engineering
28. Protein Science
29. Proteins: Structure, Function, and Genetics
30. Reviews in Modern Physics
教材和參考書(shū)：
1. Peter Lykos and Isaiah Shavitt, Supercomputers in Chemistry, in ACS Symposium
Series 173, American Chemical Society,Washington, DC, 1981.
2. E. Stuper, W. Brugger, and P. Jurs, Computer-Aided Analysis of the Relation
Between Chemical Structure and Biological Activity, Mir, Moscow, 1982.
3. Klaus Ebert and Hanns Ederer, Computers. Use in Chemistry, Mir,
Moscow, 1988.
4. S. R. Heller and R. Potenzone Jr., Computer Applications in Chemistry, Proceedings
of the 6th International Conference on Computers in Chemical Research
and Education, in Analytical Chemistry Symposium Series, Vol. 15, Elsevier,
Amsterdam, The Netherlands, 1983.
5. V. D. Maiboroda, S. G. Maksimova, and Yu. G. Orlik, Solution of Problems in
Chemistry Using ProgrammableMicrocalculators, Izd. Universitetskoe, Minsk,
USSR, 1988.
6. Kenneth L. Ratzlaff, Introduction to Computer-Assisted Experimentations,
Wiley-Interscience, New York, 1988.
7. K. Ebert, H. Ederer, and T. L. Isenhour, Computer Applications in Chemistry.
An Introduction for PC Users, With Two Diskettes in BASIC and PASCAL,
VCH, Weinheim, 1989.
8. Josef Brandt and Ivar K. Ugi, Computer Applications in Chemical Research and
Education, Huethig Verlag, Heidelberg, 1989.
9. G. Gauglitz, Software-Development in Chemistry 3. Proceedings of the 3rd
Workshop on Computers in Chemistry, Tuebingen, November 16–18, 1988,
Springer-Verlag, Berlin, 1989.
10. Russell F. Doolittle, Molecular Evolution: Computer Analysis of Protein and
Nucleic Acid Sequences, inMethods in Enzymology,Vol. 183, Academic Press,
San Diego, 1990.
11. Uwe Harms, Supercomputer and Chemistry 2, Debis Workshop 1990, Ottobrunn,
November 19–20, 1990, Springer, Berlin, 1991.
12. Juergen Gmehling, Computers in Chemistry, Proceedings of the 5th Workshop
in Software Development in Chemistry, Oldenburg, November 21–23, 1990,
Springer, Berlin, 1991.
13. Ludwig Brand and Michael L. Johnson, Numerical Computer Methods, in
Methods Enzymol., Vol. 210, Academic Press, San Diego, 1992.
14. Mototsugu Yoshida, Computer Aided Chemistry: Introduction to New Method
for Chemistry Research, Tokyo Kagaku Dozin, Tokyo, 1993.
15. Rogers, Computational Chemistry Using the PC, 2nd ed., VCH, Weinheim,
1995.
16. W. J. Hehre, Practical Strategies for Electronic Structure Calculations, Wavefunction,
Inc., Irvine, CA, 1995.
17. Guy H. Grant andW. Graham Richards, Computational Chemistry, Oxford University
Press, Oxford, UK, 1995.
18. G. W. Robinson, S. Singh, and M. W. Evans, Water in Biology, Chemistry and
Physics: Experimental Overviews and Computational Methodologies, World
Scientific, Singapore, 1996.
19. Peter C. Jurs, Computer Software Applications in Chemistry, 2nd ed., Wiley,
New York, 1996.
20. W. J. Hehre, A. J. Shusterman, and W. W. Huang, A Laboratory Book of Computational
Organic Chemistry,Wavefunction, Inc., Irvine, CA, 1996.
21. Jane S. Murray and Kalidas Sen, Molecular Electrostatic Potentials: Concepts
and Applications, in Theor. Comput. Chem., Vol. 3, Elsevier, Amsterdam, The
Netherlands, 1996.
22. S.Wilson and G. H. F. Diercksen, Problem Solving in ComputationalMolecular
Science: Molecules in Different Environments, Proceedings of the NATO Advanced
Study Institute held 12–22 August 1996, in Bad Windsheim, Germany,
in NATO ASI Ser., Ser. C, Vol. 500, Kluwer, Dordrecht, 1997.
23. Jerzy Leszczynski, Computational Chemistry: Reviews of Current Trends, Vol.
3, World Scientific, Singapore, 1999.
24. Frank Jensen, Introduction to ComputationalChemistry,Wiley, Chichester, 1999.
25. K. Ohno, K. Esfarjan, and Y. Kawazoe, ComputationalMaterials Science: From
Ab Initio to Monte Carlo Methods, Springer, Berlin, 1999.
一些網(wǎng)絡(luò)資源
1. ACCVIP Australian Computational Chemistry via the Internet Project
(http://www.chem.swin.edu.au/)
2. WWW Computational Chemistry Resources
(http://www.chem.swin.edu.au/chem_ref.html)
3. Some resources on computational chemistry
(http://www.zyvex.com/nanotech/compChemLinks.html)
4. Internet Resources for Science and Mathematics Education,
collected by Tom O’Haver
(http://www.towson.edu/csme/mctp/Technology/Chemistry.html)
5. Chemistry (and some other) Internet Resources
(http://www.technion.ac.il/technion/chemistry/links/chem_ resources.html)
6. Intute Science, Engineering and Technology
(http://www.intute.ac.uk/sciences//)
7. NIST ChemistryWebBook (http://webbook.nist.gov/chemistry/)
8. Chemcyclopedia (http://www.chemcyc.org/ME2/Default.asp)
9. Computational Chemistry List (CCL) a mailing list of computational chemists
(http://www.ccl.net/)
10. ChemFinder.com (http://chemfinder.cambridgesoft.com/)
更多的請(qǐng)跟帖補(bǔ)充，本帖將定期整理。
本帖轉(zhuǎn)自：http://www.mdbbs.org/thread-25446-1-1.html

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"I was taught at school that you should never start a sentence without knowing the end of it." GROMACS討論區(qū)：http://www.mdbbs.org/forum-39-1.html

1樓 2010-05-07 18:36:22

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yyx19840628

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鷹的眼睛，狼的耳朵，豹的速 ...

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謝謝樓主，

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人生的最大遺憾莫過(guò)于錯(cuò)誤地堅(jiān)持了不該堅(jiān)持的，輕易地放棄了不該放棄的……

4樓2010-05-22 07:46:07

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xiaowu759

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the books are too old

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3樓2010-05-22 07:23:32

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xiaoqian830606

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怎么都是英文的呢！

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6樓2010-05-24 17:00:54

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化學(xué)分子模擬可否用于光子動(dòng)力學(xué)的模擬呢

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8樓2010-06-10 17:53:09

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