The Wotch Directory
Science > Chemistry > Computational



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Australian Computational Chemistry Via the Internet Project
A set of web-based teaching modules.
http://www.chem.swin.edu.au/
Cambridge University Silicon Graphics Teaching Laboratory
An outline of a course in computational chemistry. Includes exercises in conformational search, molecular dynamics, visualization, and databases.
http://www.ch.cam.ac.uk/SGTL/
CMM
Center for Molecular Modeling: Several tutorials related to molecular modeling, directory of software and links to databases.
http://cmm.info.nih.gov/modeling/
Computational Chemistry and Organic Synthesis
A tutorial intended for experimental organic chemists, with emphasis on computational methods for locating and characterizing transition states.
http://www.cmbi.ru.nl/tutorials/cheminf/mopac/comp.html
Computational Chemistry Comparison and Benchmark Database
NIST database of small molecules with well established heat of formation, including results from many computational methods, including semiempirical and ab initio with various basis sets.
http://srdata.nist.gov/cccbdb/Default.htm
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
http://www.ccl.net/chemistry/
Computational Chemistry Resources
Directory of links related to computational chemistry. Offers several tutorials for understanding the basics of molecular structure and molecular modeling techniques.
http://www.chem.swin.edu.au/chem_ref.html
Doubly Nudged Elastic Band Method
A framework for finding transition states based on the nudged elastic band method, balancing accuracy with efficiency.
http://www-wales.ch.cam.ac.uk/~sat39/DNEBtests/
EPSRC National Service for Computational Chemistry Software
Provides software, specialist consultation, computing resources, and software training to support UK academics. Directions, staff, news, and publications.
http://www.nsccs.ac.uk/