Computational Chemistry

• Computer-designed molecule to clean up fluorocarbons?
  In a powerful demonstration of the relatively new field of computational chemistry, researchers have designed a wholly theoretical molecule to pull the fluorine out of fluorocarbons. Article, Mar 2007 (D) [e]

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• Overview of Computational Chemistry
  Computational chemistry is simply the application of chemical, mathematical and computing skills to the solution of interesting chemical problems (USA) [e]

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• Computational Biology and Chemistry
  ... publishes original research papers and review articles in all areas of computational life sciences. Elsevier (NL) [e]

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• Computing and Visualization in Science
  ... provides the ideal platform for scientists eager to cooperate in solving scientific and technological challenges. Springer (D) [e]

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• Computing in Science and Engineering (CiSE) magazine
  ... is a joint publication of the IEEE Computer Society and the American Institute of Physics (USA) [e]

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• Internet Electronic Journal of Molecular Design
  ... is a refereed journal for scientific papers regarding all applications of molecular design (USA) [e]

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• Journal of Chemical Information and Computer Sciences, JCICS
  Astute chemists, computer scientists, and information specialists look to this insightful research studies, programming innovations, and software and book reviews to keep current with advances in this integral, multidisciplinary field. ACS (USA) [e]

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• Journal of Chemical Theory and Computation
  ... publishes papers reporting new theories, methodology, and/or important applications in quantum chemistry, molecular dynamics, and statistical mechanics. ACS (USA) [e]

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• Journal of Computational Chemistry
  ... publishes articles concerned with all aspects of computational chemistry: analytical, biological,inorganic, organic and physical. Wiley [e]

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• Journal of Computer Aided Chemistry
  JCAC (JP) [e]

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• Journal of Computer-Aided Materials Design
  ... provides a communications forum at the intersection of computational materials research with materials technology. Springer (NL) [e]

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• EPSRC National Service for Computational Chemistry Software
  NSCCS provides access to software, specialist consultation, computing resources and software training to support UK academics working across all fields of chemistry (UK) [e]

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• Extensible Computational Chemistry Environment, ECCE
  ... provides a sophisticated graphical user interface, scientific visualization tools, and the underlying data management framework (USA) [e]

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• Virtual Computational Chemistry Laboratory
  This site provides free on-line tools, which we hope you will find helpful in performing computational chemistry, ADME/T and chemoinformatics tasks (D) [e]

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• Vischem
  Visualising the molecular world (AU) [e]

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• WebMO
  ... is a World Wide Web-based interface to computational chemistry packages. WebMO is available for free and is installed on a unix or Linux system [e]

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• CCCBDB
  Computational Chemistry Comparison and Benchmark Database. NIST (USA) [e]

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• Cambridge University Centre for Computational Chemistry
  (UK) [e]

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