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Article: Theoretical Chemistry
- Article from:
- Chemistry: Foundations and Applications
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CopyrightCOPYRIGHT 2004 The Gale Group, Inc. This material is published under license from the publisher through the Gale Group, Farmington Hills, Michigan. All inquiries regarding rights should be directed to the Gale Group. (Hide copyright information)
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Theoretical Chemistry
Theoretical chemistry is the discipline that uses quantum mechanics, classical mechanics, and statistical mechanics to explain the structures and dynamics of chemical systems and to correlate, understand, and predict their thermodynamic and kinetic properties. Modern theoretical chemistry may be roughly divided into the study of chemical structure and the study of chemical dynamics. The former includes studies of: (1) electronic structure, potential energy surfaces, and force fields; (2) vibrational-rotational motion; and (3)
equilibrium
properties of condensed-phase systems and macro-molecules. Chemical dynamics includes: (1) bimolecular kinetics and the ...
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