Computational

Cambridge University Silicon Graphics Teaching Laboratory - An outline of a course in computational chemistry. Includes exercises in conformational search, molecular dynamics, visualization, and databases.
www.ch.cam.ac.uk/SGTL/

CMM - Center for Molecular Modeling: Several tutorials related to molecular modeling, directory of software and links to databases.
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.
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.
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
www.ccl.net/chemistry/

Doubly Nudged Elastic Band Method - A framework for finding transition states based on the nudged elastic band method, balancing accuracy with efficiency.
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.
www.nsccs.ac.uk/

First Principles Research, Inc. - Research Theorists in Physics and Chemistry.
www.firstprinciples.com

Intertek ASG Computational Chemistry Group - Services provided by the group include the calculation of molecular properties using computational chemistry, the management, analysis, visualisation and modelling of data, training, consultancy and problem solving.
www.intertek-cb.com/newsitetest/services/asg/compchem.shtml

MathMol - Provides students, teachers and researchers the basic concepts in mathematics and their connection to molecular modeling. Links to Software, 3D libraries and tutorials.
www.nyu.edu/pages/mathmol/

MatHub - Features current and background information about molecular modeling and informatics for chemistry and materials science.
www.mathub.com/

Molecular Docking Web - Protein-ligand Docking, structures, bioinformatics, computational chemistry, and drug design resources.
www.scripps.edu/mb/olson/people/gmm/