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【整理】计算化学杂志，系列丛书，教材和参考书，一些网络资源
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杂志，丛书： 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) 更多的还有： 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 教材和参考书： 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. 一些网络资源 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/) 更多的请跟帖补充，本帖将定期整理。 本帖转自：http://www.mdbbs.org/thread-25446-1-1.html [ Last edited by gromacs on 2010-5-7 at 18:35 ] |
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