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Computational Chemistry List
Computational Chemistry List: A resource for computational chemists. Discussions on chemistry software, data, conferences, jobs, quantum chemistry, molecular mechanics, molecular dynamics, QSAR, molecular graphics, molecular modeling, and associated archives (Computational)
http://www.ccl.net/chemistry/ |
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First Principles Research, Inc.
First Principles Research, Inc.: Research Theorists in Physics and Chemistry. (Computational)
http://www.firstprinciples.com |
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Computational Chemistry Roadmap
Computational Chemistry Roadmap: Identifies future scientific challenges in computational chemistry from the perspective of the U.S. chemical industry. (Computational)
http://www.oit.doe.gov/chemicals/visions_compchemistry.shtml |
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Molecular Modeling for Organic Chemistry
Molecular Modeling for Organic Chemistry: Summary of lecture course which aims to introduce the hierarchy of computational modeling methods used in Organic Chemistry. Links to background and supplemental information. (Computational)
http://origin.ch.ic.ac.uk/local/organic/mod/ |
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Computational Chemistry and Organic Synthesis
Computational Chemistry and Organic Synthesis: A tutorial intended for experimental organic chemists, with emphasis on computational methods for locating and characterizing transition states. (Computational)
http://www.cmbi.ru.nl/tutorials/cheminf/mopac/comp.html |
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Molecular Modeling
Molecular Modeling: Links to information on chemical structures, graphics, slide shows, and modeling experiments. (Computational)
http://www.molecules.org/ |
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Computational Chemistry Comparison and Benchmark Database
Computational Chemistry Comparison and Benchmark Database: Database of molecules with well established heat of formation, no atoms with atomic number greater than 17 (Chlorine,) and six or fewer heavy atoms and twenty or fewer total atoms. (Computational)
http://srdata.nist.gov/cccbdb/Default.htm |
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CMM
CMM: Center for Molecular Modeling: Several tutorials related to molecular modeling, directory of software and links to databases. (Computational)
http://cmm.info.nih.gov/modeling/ |
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Molecular Docking Web
Molecular Docking Web: Protein-ligand Docking, structures, bioinformatics, computational chemistry, and drug design resources. (Computational)
http://www.scripps.edu/mb/olson/people/gmm/ |
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Australian Computational Chemistry Via the Internet Project
Australian Computational Chemistry Via the Internet Project: A set of web-based teaching modules. (Computational)
http://www.chem.swin.edu.au/ |
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Computational Chemistry Resources
Computational Chemistry Resources: Directory of links related to computational chemistry. Offers several tutorials for understanding the basics of molecular structure and molecular modeling techniques. (Computational)
http://www.chem.swin.edu.au/chem_ref.html |
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MatHub
MatHub: Features current and background information about molecular modeling and informatics for chemistry and materials science. (Computational)
http://www.mathub.com/ |
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Particle-Surface Resources on the Internet
Particle-Surface Resources on the Internet: Contrary to the title, also contains links to general molecular dynamics resources. (Computational)
http://chaos.fullerton.edu/mhslinks.html |
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MathMol
MathMol: Provides students, teachers and researchers the basic concepts in mathematics and their connection to molecular modeling. Links to Software, 3D libraries and tutorials. (Computational)
http://www.nyu.edu/pages/mathmol/ |
Additional
Information: Computational chemistry involves the use of computers to investigate the structure and properties of atoms, molecules, and molecular aggregates. There is great overlap and some confusion between the disciplines commonly called "computational chemistry", "
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