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. |
