Computational Chemistry > Quantum Chemistry  Directory > Science > Chemistry > Computational Chemistry > Quantum Chemistry

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CATEGORIES Institutes (3) SITE LISTINGS Alphabetical  |  By Popularity    (What's This?) Brief Review of Elementary Quantum Chemistry - Text-book format covering quantum mechanics. Materials Theory Group - Northwestern University - Studies electronic, structural, and transport properties of materials using atomistic simulations and first-principle electronic structure theory. MOLSCAT: quantum non-reactive molecular scattering - FORTRAN code for quantum nonreactive molecular collision dynamics is available as well as collision rates for interstellar molecules. Photochemical Hydrogen Tunneling - Photochemical hydrogen tunneling in acridine doped fluorene crystal. Measurement of pressure and temperature dependence of the reaction rate. Quantum Chemistry Group - Petersburg Nuclear Physics Institute, Russia - Modern methods of ab-initio calculations in quantum chemistry are presented. Generalized relativistic effective potential is the main subject.

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Directory > Science > Chemistry > Computational Chemistry > Quantum Chemistry