- Australian Computational Chemistry Via the Internet Project - A set of web-based teaching modules.
- 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
- First Principles Research, Inc. - Research Theorists in Physics and Chemistry.
- CMM - Center for Molecular Modeling: Several tutorials related to molecular modeling, directory of software and links to databases.
- Computational Chemistry Resources - Directory of links related to computational chemistry. Offers several tutorials for understanding the basics of molecular structure and molecular modeling techniques.
- 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 Modeling - Links to information on chemical structures, graphics, slide shows, and modeling experiments.
- 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.
- 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 Roadmap - Identifies future scientific challenges in computational chemistry from the perspective of the U.S. chemical industry.
- 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.
- Molecular Docking Web - Protein-ligand Docking, structures, bioinformatics, computational chemistry, and drug design resources.
- Cambridge University Silicon Graphics Teaching Laboratory - An outline of a course in computational chemistry. Includes exercises in conformational search, molecular dynamics, visualization, and databases.
- 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.
- Doubly Nudged Elastic Band Method - A framework for finding transition states based on the nudged elastic band method, balancing accuracy with efficiency.
|
