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Computational Chemistry:     more books (100)

Introduction to Computational Chemistry by Frank Jensen, 2006-12-13 Handbook of Computational Quantum Chemistry by David B. Cook, 2005-08-02 Essentials of Computational Chemistry: Theories and Models by Christopher J. Cramer, 2004-11-22 Computational Chemistry: A Practical Guide for Applying Techniques to Real World Problems by David Young, 2001-03-07 Computational Chemistry Workbook: Learning Through Examples by Thomas Heine, Jan-Ole Joswig, et all 2009-11-17 A Computational Approach to Chemistry (Physical Chemistry Texts) by David Michael Hirst, 1990-03 Computational Methods in Quantum Chemistry: Quantum Chemistry (World Scientific Series in Contemporary Chemical Physics) by A. A. Hasanein, Myron W. Evans, 1996-06 Computational Chemistry (Oxford Chemistry Primers, 29) by Guy H. Grant, W. Graham Richards, 1995-05-11 Computational Organic Chemistry by Steven M. Bachrach, 2007-07-16 Computational Drug Design: A Guide for Computational and Medicinal Chemists by D. C. Young, 2009-02-12 Encyclopedia of Computational Chemistry, 5 Volume Set by Paul von Ragu? Schleyer, 1998-11-25 Computational Chemistry and Molecular Modeling: Principles and Applications by K. I. Ramachandran, Gopakumar Deepa, et all 2010-11-30 Simple Theorems, Proofs and Derivations in Quantum Chemistry (Mathematical and Computational Chemistry) by Istvan Mayer, 2010-11-02 Annual Reports in Computational Chemistry 2, Volume 2

lists with details

1. Computational Chemistry Resources On The WWW
   WWW computational chemistry Resources. computational chemistry resources. ACS Division of Compu/ters in Chemistry ACS Division of Physical Chemistry.  
   http://www.chem.swin.edu.au/chem_ref.html
   
   Extractions: WWW Computational Chemistry Resources This list of resources is designed to provide computational chemists, students and other people interested in the CAUT Computational Chemistry project with a list of useful web sites related to computational chemistry and molecular modelling This list is not intended to be a definitive list of chemistry pages on the web, but rather to provide links to some of the more most useful sites on the Web. Please let us know of any changes or suggestions for this list. The resources are divided into: General chemistry Chemistry education Computational chemistry Resources Molecular modelling ... The URL update form Interesting general chemistry resources The Australian Chemistry Network Beilstein Information Systems The Free University, Berlin Chemistry Index (very comprehensive) The Yahoo Chemistry Index Chemistry Databases Links for Chemists; University of Liverpool including World Wide Web Virtual Library: Chemistry The Information Retrieval in Chemistry The SDSU Chemistry Information Reference Silicon Graphics' Chemistry and Biological Sciences resources WebElements - The periodic table via WWW MIME types for Chemistry Network Science - an electronic journal for those in the chemical, pharmaceutical and biotechnology industries

2. CCC - The Center For Computational Chemistry
   The Center for computational chemistry seeks to develop theorectical and computational methods through mathematical models for describing and understanding the movement and function of electrons  
   http://zopyros.ccqc.uga.edu/

3. Journal Of Computational Chemistry
   http://www.interscience.wiley.com/jpages/0192-8651

4. NetSci's Science Center: Computational Chemistry
   NetSci's Science Center computational chemistry. Quantitative Structure Activity Relationships (QSAR) Molecular Modeling and the Design of Dopamine D2 Partial Agonists, Georgia B. McGaughey* and Richard E. Mergers and Alliances Within computational chemistry, Allen B. Richon, Molecular  
   http://www.netsci.org/Science/Compchem
   
   Extractions: Computational Chemistry Molecular Modeling and the Design of Dopamine D Partial Agonists , Georgia B. McGaughey* and Richard E. Mewshaw, Wyeth-Ayerst Research Laboratories (Published May, 1998). QuaSAR-Binary: A New Method for the Analysis of High Throughput Screening Data , Paul Labute, Chemical Computing Group (Published May, 1998). QSAR Challenges and Opportunities: A Commentary , Eugene Coats, Amylin Pharmaceuticals (Published January, 1996). An Introduction to QSAR and Drug Design , David Bevan, Virginia Polytechnic Institute and State University (Published January, 1996). An Introduction to QSAR Methodology , Allen B. Richon (Network Science Corporation) and Stanley S. Young (Glaxo Wellcome Research) (Published October, 1997). Interpretative Neural Networks for QSAR , James H. Wikel*, Ernst R. Dow, and Michael Heathman, Eli Lilly and Company (Published March, 1996). A New QSAR Algorithm Combining Principal Component Analysis with a Neural Network: Application to Calcium Channel Antagonists, Vellarkad N. Viswanadhan*, Geoffrey A. Mueller, Subhash C. Basak, and John N. Weinstein* (Published January, 1996).

5. Computational Chemistry On The Sony PlayStation2
   computational chemistry on the Sony PlayStation2. In the News. Introduction. The landscape of highperformance computing for chemical simulation is constantly changing. but equally important is  
   http://spawn.scs.uiuc.edu/research/sonyps2/ps2project.htm
   
   Extractions: CPU Magazine, June, 2002 The landscape of high-performance computing for chemical simulation is constantly changing. Up to at least the 1960’s, the expense of computing equipment led researchers to a model where a few powerful computers were shared among many research groups. The workstation revolution, which was in full force by the 1980’s allowed much research to be carried out on computers housed within a research group, allowing greater autonomy in deciding how to allocate resources. Perhaps the most important development in the last decade has been the introduction of Beowulf clusters. This model capitalizes on commodity off-the-shelf (COTS) hardware components to provide unprecedented computer performance at a price reflecting the enormous sales volume of x86 processors and affiliated peripherals. The Beowulf model is now being embraced by national supercomputer centers, leading to a scenario where theoretical chemistry research groups commonly maintain 16-32 node clusters

6. CCL Home
   Home Page. computational chemistry List. Resource for Computational Chemists. Discussions on chemistry software, data, conferences, jobs, quantum chemistry, molecular mechanics, molecular dynamics  
   http://server.ccl.net/chemistry
   
   Extractions: CCL is now located at the Science Computing Facility at the College of Science of the University of Notre Dame in Indiana. If you have problems sending mail to the list, please contact the list administrator directly at and send a copy of your message. It will be eventually resent. Since we are getting a lot of spam mail, we had to blacklist many addresses which originate spam. You can check blacklisted subnets at http://www.ccl.net/spammers.txt (watch, it is several Megabytes). We do admit (and apologize) that most of these addresses are the victims of crackers who used machines in the ajacent subnet to send spam. Even if your address is on the list, you are probably a victim as we all are. The list is ordered by IP address. Please tell us if your address is there, and we will promptly remove it. Note, if you are using some popular mail service, which was compromized by the bad guys at some point, it may be blacklisted, and your messages to CCL may be rejected. Let us know about it (at ) and we will remove your address from the blacklist.

7. ACCVIP: The Computational Chemistry Via The Internet Project
   Welcome to the ACCVIP Australian computational chemistry via the Internet Project. Index. Project Aims. computational chemistry teaching modules.  
   http://www.chem.swin.edu.au/

8. REVIEWS IN COMPUTATIONAL CHEMISTRY
   REVIEWS IN computational chemistry. Meet the editors; Crossword puzzle for computational chemists. Copyright © 19952002. All rights reserved.  
   http://chem.iupui.edu/~boyd/rcc.html
   
   Extractions: A book series of leading research reviews and tutorials covering the methods of quantum chemistry, force fields, molecular mechanics, molecular simulations, molecular modeling, molecular design, informatics (cheminformatics), materials modeling, and other topics of interest to scientists who want to use computers to advance chemical science. The next generation Questions answered Author and subject indexes of each volume Citations to each chapter with inclusive pagination pre-formatted for easy use Meet the editors Crossword puzzle for computational chemists

9. Computational Chemistry List
   of excellent overviews on important computational chemistry topics. MicroElectronics new list cover all aspects of computational chemistry; however, before posting, contributors  
   http://server.ccl.net/chemistry.html
   
   Extractions: CCL is now located at the Science Computing Facility at the College of Science of the University of Notre Dame in Indiana. If you have problems sending mail to the list, please contact the list administrator directly at and send a copy of your message. It will be eventually resent. Since we are getting a lot of spam mail, we had to blacklist many addresses which originate spam. You can check blacklisted subnets at http://www.ccl.net/spammers.txt (watch, it is several Megabytes). We do admit (and apologize) that most of these addresses are the victims of crackers who used machines in the ajacent subnet to send spam. Even if your address is on the list, you are probably a victim as we all are. The list is ordered by IP address. Please tell us if your address is there, and we will promptly remove it. Note, if you are using some popular mail service, which was compromized by the bad guys at some point, it may be blacklisted, and your messages to CCL may be rejected. Let us know about it (at ) and we will remove your address from the blacklist.

10. Minnesota Computational Chemistry
    Minnesota computational chemistry Home Page Scientific Computation. Computational Neuroscience. Chemical Biology Waves and Beams. Department of Chemistry. UMN Graduate School  
    http://amsol.chem.umn.edu/

11. CCL Home
    Home Page. computational chemistry List. Resource for Computational Chemists. Discussions on chemistry software, data, conferences  
    http://www.ccl.net/chemistry/
    
    Extractions: CCL is now located at the Science Computing Facility at the College of Science of the University of Notre Dame in Indiana. If you have problems sending mail to the list, please contact the list administrator directly at and send a copy of your message. It will be eventually resent. Since we are getting a lot of spam mail, we had to blacklist many addresses which originate spam. You can check blacklisted subnets at http://www.ccl.net/spammers.txt (watch, it is several Megabytes). We do admit (and apologize) that most of these addresses are the victims of crackers who used machines in the ajacent subnet to send spam. Even if your address is on the list, you are probably a victim as we all are. The list is ordered by IP address. Please tell us if your address is there, and we will promptly remove it. Note, if you are using some popular mail service, which was compromized by the bad guys at some point, it may be blacklisted, and your messages to CCL may be rejected. Let us know about it (at ) and we will remove your address from the blacklist.

12. Jobs
    Jobs. computational chemistry List. Position announcements submitted to computational chemistry List are considered very effective tool by people who use it.  
    http://www.ccl.net/chemistry/announcements/jobs/index.shtml
    
    Extractions: http://www.ccl.net/chemistry/announcements/jobs/index.shtml CCL Jobs Conferences upcoming conferences Jobs positions open ... resumes (positions wanted) If you want to add your announcement to this file, send mail to: Jan Labanowski or his coworkers ( jobs@ccl.net ). If this address bounces for you (we have strict anti-spam filters installed, and sometimes they reject mail of people whose addresses are similar to those used by spammers) please send your e-mail to: jlabanow@nd.edu Please use only PLAIN TEXT no MS-WORD, RTF, or HTML when submitting announcements! This service is free and your support is welcome!!! Please help me in keeping this file up to date by informing me when the entries are out of date (e.g., if you find out that the position has been filled or cancelled).

13. Wiley InterScience :: Session Cookies
    www3.interscience.wiley.com/cgibin/jhome/33822 More results from www3.interscience.wiley.com computational chemistry and Organic Synthesis computational chemistry and Organic Synthesis. These days computational chemistry is more or less the same, but with emphasis on the latter.  
    http://www3.interscience.wiley.com/cgi-bin/jtoc?ID=33822

14. The Philosophy Of Computational Quantum Chemistry
    The Philosophy of Computational Quantum Chemistry. From Dr. Buyong Ma , Ph.D Dissertation of University of Georgia, March, 1995. The advances of computational approach to chemical problems are remarkable. The definition of computational chemistry is somewhat arbitrary and subjective there are three characteristics for computational chemistry A. obtaining chemical information  
    http://alphanla.chem.uga.edu/~buyong/philo/philo.html
    
    Extractions: The advances of computational approach to chemical problems are remarkable. It has been gradually clear that computer may be the instruments of new experimental methodology, i.e., computer experiment, which means that computer together with appropriate software form a fundamental extension of our means to obtain experimental information[1,2]. The philosophical significance of such scientific practice, especially computational quantum chemistry, remains to be evaluated and appreciated. A careful examination of the newly advanced scientific discipline may enrich our understanding about some problems of philosophy of science, for instance, the relationship between theory and observation and cognitive models of science. Vise verse, a philosophical consideration of computational quantum chemistry might help us get fully appreciation about computational quantum chemistry. I. The theoretical nature of computational quantum Chemistry

15. Minnesota Computational Chemistry
    quantum photochemistry, quantum thermochemistry, multiscale methods, solvation, simulations, environmental and biological chemistry, catalysis, combustion  
    http://comp.chem.umn.edu/

16. Comp.chem.umn.edu/WWW/CompChem/CChem.html
    More results from comp.chem.umn.edu Welcome to the CCL Website! The computational chemistry List (CCL) was established on January 11, 1991, as an independent electronic forum for chemistry researchers and educators from  
    http://comp.chem.umn.edu/WWW/CompChem/CChem.html

17. CCL -- Computational Chemistry Archives
    computational chemistry Archives. Welcome! Welcome to the computational chemistry Archives. Please feel free to browse. We are  
    http://ccl.osc.edu/ccl/cca.html
    
    Extractions: Welcome to the Computational Chemistry Archives. Please feel free to browse. We are also asking you for your contributions. Please contribute material so other people can use it, and be grateful. There are files available on the following topics: You can search the archives using a WWW-accessible Search Engine . It is as powerful as the old

18. Journals.wiley.com/0192-8651/
    journals.wiley.com/jcc/ More results from journals.wiley.com CCCBDB computational chemistry Comparison and Benchmark DatabaseIdealgas thermochemistry. Comparisons between theory and experiment.  
    http://journals.wiley.com/0192-8651/

19. Mathematical Challenges From Theoretical/Computational Chemistry
    MATHEMATICAL CHALLENGES FROM THEORETICAL/computational chemistry. Committee on Mathematical Challenges from computational chemistry  
    http://www.nap.edu/readingroom/books/mctcc/

20. Hackberry.chem.niu.edu70/0/ECCC/homepage.html
    hackberry.chem.niu.edu70/0/ECCCinformation.html More results from hackberry.chem.niu.edu WebMO computational chemistry on the WWW WebMO is a World Wide Web-based interface to computational chemistry packages. Simple enough for undergraduate computational chemistry curriculum.  
    http://hackberry.chem.niu.edu:70/0/ECCC/homepage.html

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