Molecular Modeling of Environmentally Important Processes: Reduction Potentials.

Lewis, Anne; Bumpus, John A.; Truhlar, Donald G.; Cramer, Christopher J.

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Peer reviewed

ERIC Number: EJ717036

Record Type: Journal

Publication Date: 2004-Apr-1

Pages: 9

Abstractor: Author

ISBN: N/A

ISSN: ISSN-0021-9584

EISSN: N/A

Molecular Modeling of Environmentally Important Processes: Reduction Potentials

Lewis, Anne; Bumpus, John A.; Truhlar, Donald G.; Cramer, Christopher J.

Journal of Chemical Education, v81 n4 p596 Apr 2004

The increasing use of computational quantum chemistry in the modeling of environmentally important processes is described. The employment of computational quantum mechanics for the prediction of oxidation-reduction potential for solutes in an aqueous medium is discussed.

Descriptors: Chemistry, Quantum Mechanics, Molecular Structure, Models, Science Instruction

Journal of Chemical Education, Subscription Department, P.O. Box 1267, Bellmawr, NJ 08099-1267. Web site: http://jchemed.chem.wisc.edu/AboutJCE/contact.html.

Publication Type: Journal Articles; Reports - Descriptive

Education Level: N/A

Audience: N/A

Language: English

Sponsor: N/A

Authoring Institution: N/A

Grant or Contract Numbers: N/A

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