| Australian Computational Chemistry Via the Internet Project: A set of web-based teaching modules. |
| Cambridge University Silicon Graphics Teaching Laboratory: An outline of a course in computational chemistry. Includes exercises in conformational search, molecular dynamics, visualization, and databases. |
| CMM: Center for Molecular Modeling: Several tutorials related to molecular modeling, directory of software and links to databases. |
| Computational Chemistry and Organic Synthesis: A tutorial intended for experimental organic chemists, with emphasis on computational methods for locating and characterizing transition states. |
| 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. |
| 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 |
| Computational Chemistry Resources: Directory of links related to computational chemistry. Offers several tutorials for understanding the basics of molecular structure and molecular modeling techniques. |
| Doubly Nudged Elastic Band Method: A framework for finding transition states based on the nudged elastic band method, balancing accuracy with efficiency. |
| 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. |
| First Principles Research, Inc.: Research Theorists in Physics and Chemistry. |
| 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. |
| MathMol: Provides students, teachers and researchers the basic concepts in mathematics and their connection to molecular modeling. Links to Software, 3D libraries and tutorials. |
| MatHub: Features current and background information about molecular modeling and informatics for chemistry and materials science. |
| Molecular Docking Web: Protein-ligand Docking, structures, bioinformatics, computational chemistry, and drug design resources. |
| 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. |
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