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Science: Chemistry: Software -  (216)

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	Japanese  (10)   Spanish  (3)

Australian Computational Chemistry Via the Internet Project - - A set of web-based teaching modules as well as links to related sites.

Cambridge University Silicon Graphics Teaching Laboratory - - An outline of a course in computational chemistry. Includes exercises in conformational search, molecular dynamics, visualization, and databases.

Centre for Molecular Modeling - - Provides 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 archive.

Doubly Nudged Elastic Band Method - - A framework for finding transition states based on the nudged elastic band method, balancing accuracy with efficiency.

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.

QSAR World - - Includes brief introductions to concepts in Quantitative Structure Activity Relationship modeling as well as links to relevant literatur.

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