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Home / Science / Chemistry / Computational
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Web Sites
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- Biomer - A free on-line molecular modeling program for small organic molecules and biopolymers. Features include force-field based energy refinement and simulated annealing with molecular dynamics.
www.scripps.edu/~nwhite/Biomer/index.html
- Computational Chemistry and Organic Synthesis - A course to introduce computational chemistry to synthetic-organic chemists, who would like to understand why they got the product they got and not (always) the compound they wanted.
www.cmbi.kun.nl/tutorials/cheminf/mopac/comp.html
- 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
www.ccl.net/chemistry
- Computational Chemistry Project - Web-based computational chemistry courses, as well as a number of other resources for computational chemistry and molecular modelling.
www.chem.swin.edu.au
- First Principles Research, Inc. - Research Theorists in Physics and Chemistry.
www.firstprinciples.com
- InfraWeb - On-line calculation of chemical equilibrium - Calculation of complex chemical equilibrium in real and ideal gases through the WEB.
www.com2com.ru/~maikov
- Merz Research Group - The Merz research group strives to understand the relationships between structure and function of biomolecules from a quantum mechanical standpoint.
merz.chem.psu.edu
- NetMol - Java applet that allows viewing of molecular dynamics animations of peptide and protein models.
engpub1.bu.edu/~srk
- Oak Ridge National Lab Polymer Science Group - Contains information about the ORNL Polymer Science Group and its programs and research projects.
www.ornl.gov/divisions/casd/polymer
- Optimal Thermodynamic Calculation - Optimal Thermodynamic Calculation of Distillation Column through the WEB.
www.com2com.ru/~maikov/todis
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