principal directory
DIRECTORY

Categories :  Chemistry > Computational

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 Australian Computational Chemistry Via the Internet Project
Chemistry - Computational

A set of web-based teaching modules.

 Cambridge University Silicon Graphics Teaching Laboratory
Chemistry - Computational

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

 CMM
Chemistry - Computational

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

 Computational Chemistry and Organic Synthesis
Chemistry - Computational

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

 Computational Chemistry Comparison and Benchmark Database
Chemistry - Computational

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
Chemistry - Computational

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
Chemistry - Computational

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

 Computational Chemistry Roadmap
Chemistry - Computational

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

 Doubly Nudged Elastic Band Method
Chemistry - Computational

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

 EPSRC National Service for Computational Chemistry Software
Chemistry - Computational

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

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