 Science: Chemistry: Software
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.
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.
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
Computational Chemistry Project
Web-based computational chemistry courses, as well as a number of other resources for computational chemistry and molecular modelling.
First Principles Research, Inc.
Research Theorists in Physics and Chemistry.
InfraWeb - On-line calculation of chemical equilibrium
Calculation of complex chemical equilibrium in real and ideal gases through the WEB.
Merz Research Group
The Merz research group strives to understand the relationships between structure and function of biomolecules from a quantum mechanical standpoint.
NetMol
Java applet that allows viewing of molecular dynamics animations of peptide and protein models.
Oak Ridge National Lab Polymer Science Group
Contains information about the ORNL Polymer Science Group and its programs and research projects.
Optimal Thermodynamic Calculation
Optimal Thermodynamic Calculation of Distillation Column through the WEB.
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