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/
Center for Molecular Modeling: Several tutorials related to molecular modeling, directory of software and links to databases.
http://cmm.info.nih.gov/modeling/
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
NIST database of small molecules with well established heat of formation, including results from many computational methods, including semiempirical and ab initio with various basi...
http://srdata.nist.gov/cccbdb/Default.htm
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
Identifies future scientific challenges in computational chemistry from the perspective of the U.S. chemical industry.
http://www.oit.doe.gov/chemicals/visions_compchemistry.shtml
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/
Provides software, specialist consultation, computing resources, and software training to support UK academics. Directions, staff, news, and publications.
http://www.nsccs.ac.uk/
Services provided by the group include the calculation of molecular properties using computational chemistry, the management, analysis, visualisation and modelling of data, trainin...
http://www.intertek-cb.com/newsitetest/services/asg/compchem.shtml
Provides students, teachers and researchers the basic concepts in mathematics and their connection to molecular modeling. Links to Software, 3D libraries and tutorials.
http://www.nyu.edu/pages/mathmol/
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