Modern applications of physical chemistry and chemical physics
are developed.
Topics covered include: Quantum and classical statistical mechanics,
phase space, and fluctuations. Intermolecular forces and their
experimental / theoretical determination.
Computational molecular modeling, including
ab initio , semiempirical
and molecular mechanics predictions of molecular properties,
as well as Monte Carlo and molecular dynamics methods.
This semester we will also cover qualitative models
of molecular orbitals and molecular group theory.
Some projects may require computer programming in
your favorite language.
Applications to liquids, nanoclusters, polymers,
surface adsorbates and
biomolecules will be
considered. Guest speakers from academia
and industry are invited to share their perspectives.
3 credits.
Prerequisites: strong knowledge of quantum mechanics, i.e.,
Ch 261 or equivalent course (or by permission of instructor)
(1)Statistical Thermodynamics, Donald A. McQuarrie, University Science Press, 1973, paperback.
(2) Beginning Group Theory for Chemistry, P. H. Walton, Oxford University Press, 1998, paperback(ISBN 019855964X).
(3)Selected chapters from Quantum Chemistry, Donald A. McQuarrie, University Science Press, hardcover (not ordered; share with a fellow student) and/or Physical Chemistry: A Molecular Approach, Donald A. McQuarrie and Jack Simon, University Science Press, 1997 (also not ordered; share with fellow students).
We will also use chapters from various other texts, such as Levine's
Quantum Chemistry (4th and 5th editions).