Theoretical Chemistry by Jack Simons
This page covers the following topics related to Theoretical Chemistry :
The Roles of Theory in Chemistry, The Laboratory-Theory Interface: What do
Experiments Measure?, What is Present Day Theoretical Chemistry About, chemical
kinetics, Oxidation numbers and electronegativities, Lewis acid-base concepts,
Woodward- Hoffmann rules spectroscopy, Diffusion of gases in a polymer,
Solvation of anions, Classical Newtonian Dynamics, Quantum Dynamics, Large
Biomolecules and Polymers, Mixed Classical and Quantum Dynamics, The Car-Parrinello
Method, etc.
Author(s): Jack Simons, University of
Utah
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