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.
- http://www.intertek-cb.com/newsitetest/services/asg/compchem.shtml

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/

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/

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

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 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

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.
- http://origin.ch.ic.ac.uk/local/organic/mod/

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

MathMol
- 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/

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

CMM
- Center for Molecular Modeling: Several tutorials related to molecular modeling, directory of software and links to databases.
- http://cmm.info.nih.gov/modeling/

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

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/

Australian Computational Chemistry Via the Internet Project
- A set of web-based teaching modules.
- http://www.chem.swin.edu.au/