A set of web-based teaching modules.

Center for Molecular Modeling: Several tutorials related to molecular modeling, directory of software and links to databases.

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.

An outline of a course in computational chemistry. Includes exercises in conformational search, molecular dynamics, visualization, and databases.

A tutorial intended for experimental organic chemists, with emphasis on computational methods for locating and characterizing transition states.

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

Directory of links related to computational chemistry. Offers several tutorials for understanding the basics of molecular structure and molecular modeling techniques.

Identifies future scientific challenges in computational chemistry from the perspective of the U.S. chemical industry.

A framework for finding transition states based on the nudged elastic band method, balancing accuracy with efficiency.

Provides software, specialist consultation, computing resources, and software training to support UK academics. Directions, staff, news, and publications.

Research Theorists in Physics and Chemistry.

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.

Provides students, teachers and researchers the basic concepts in mathematics and their connection to molecular modeling. Links to Software, 3D libraries and tutorials.

Features current and background information about molecular modeling and informatics for chemistry and materials science.

Protein-ligand Docking, structures, bioinformatics, computational chemistry, and drug design resources.

Links to information on chemical structures, graphics, slide shows, and modeling experiments.

Summary of lecture course which aims to introduce the hierarchy of computational modeling methods used in Organic Chemistry. Links to background and supplemental information.