| Australian Computational Chemistry Via the Internet Project - A set of web-based teaching modules.
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| 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
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| First Principles Research, Inc. - Research Theorists in Physics and Chemistry.
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| CMM - Center for Molecular Modeling: Several tutorials related to molecular modeling, directory of software and links to databases.
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| Computational Chemistry Resources - Directory of links related to computational chemistry. Offers several tutorials for understanding the basics of molecular structure and molecular modeling techniques.
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| MathMol - Provides students, teachers and researchers the basic concepts in mathematics and their connection to molecular modeling. Links to Software, 3D libraries and tutorials.
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| MatHub - Features current and background information about molecular modeling and informatics for chemistry and materials science.
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| Molecular Modeling - Links to information on chemical structures, graphics, slide shows, and modeling experiments.
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| 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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| Particle-Surface Resources on the Internet - Contrary to the title, also contains links to general molecular dynamics resources.
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| Computational Chemistry and Organic Synthesis - A tutorial intended for experimental organic chemists, with emphasis on computational methods for locating and characterizing transition states.
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| Computational Chemistry Roadmap - Identifies future scientific challenges in computational chemistry from the perspective of the U.S. chemical industry.
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| Computational Chemistry Comparison and Benchmark Database - Database of molecules with well established heat of formation, no atoms with atomic number greater than 17 (Chlorine,) and six or fewer heavy atoms and twenty or fewer total atoms.
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| Molecular Docking Web - Protein-ligand Docking, structures, bioinformatics, computational chemistry, and drug design resources.
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