Computational  Associations  Journals  People  Research Groups  Structure and Image Repositories  Electronic Structure  Molecular Dynamics  Molecular Mechanics  Monte Carlo Based on the sites mentioned below, AnseroX recommends these keywords:  computational chemistry    Search Google for "computational chemistry"  chemistry    Search Google for "chemistry"  ab initio    Search Google for "ab initio"

			SITES
				Center for Molecular Modeling
				Molecular Modelling
				CCCBDB Computational Chemistry Comparison and Benchmark Database Ideal-gas thermochemistry. Comparisons between theory and experiment.
				The doubly nudged elastic band method and its applications Doubly nudged elastic band method test cases
				Redirect Chemistry
				ACCVIP: the Computational Chemistry via the Internet Project ACCVIP Computational Chemistry via the Internet Project
				Computational Chemistry Resources on the WWW
				First Principles Research Research Theorists in Physics and Chemistry.
				Computational Chemistry, Data Analysis, Training and Consultancy Intertek ASG Computational Chemistry Group: extensive expertise and experience in traditional computational chemistry and dealing with complex data. Services provided by the group include calculation of molecular properties using computational chemistry, the management, analysis, visualisation and modelling of data, training, consultancy and problem solving.
				The Computer-Aided Nanotechnology Site Description goes here
				EPSRC National Service for Computational Chemistry Software EPSRC National Service for Computational Chemistry was set up to provide software, specialist consultation, computing resources and software training to support UK academics working in the fields of chemistry and materials science.
				The Molecular Graphics Laboratory — Molecular Graphics Lab

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