Computational Links
- Oak Ridge National Lab Polymer Science Group Contains information about the ORNL Polymer Science Group and its programs and research projects.
- 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
- Sparkle Metals Sparkle model for the quantum chemical MOPAC calculation of metals complexes.
- Optimal Thermodynamic Calculation Optimal Thermodynamic Calculation of Distillation Column 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.
- 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.
- NetMol Java applet that allows viewing of molecular dynamics animations of peptide and protein models.
- 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 Project Web-based computational chemistry courses, as well as a number of other resources for computational chemistry and molecular modelling.
- InfraWeb - On-line calculation of chemical equilibrium Calculation of complex chemical equilibrium in real and ideal gases through the WEB.
- First Principles Research, Inc. Research Theorists in Physics and Chemistry.
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