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The Calculation of Standard Enthalpies of Formation of Alkanes: Illustrating Molecular Mechanics and Spreadsheet Programs

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Eric Leigh Hawk

Department of Chemistry and Physics, State University of New York, College at Old Westbury, Old Westbury, NY 11568

J. Chem. Educ., 1999, 76 (2), p 278

DOI: 10.1021/ed076p278

Publication Date (Web): February 1, 1999

Abstract

How group increment methods may be used to predict standard enthalpies of formation of alkanes is outlined as an undergraduate computational chemistry experiment. The experiment requires input and output data sets. Although users may create their own data sets, both sets are provided.

Keywords (Domain):

Laboratory Instruction

Keywords (Subject):

Computational Chemistry

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This article has been cited by 1 ACS Journal articles (1 most recent appear below).

Exploring Organic Mechanistic Puzzles with Molecular Modeling
Gail Horowitz and Gary Schwartz
Journal of Chemical Education2004 81 (8), 1136
- Exploring Organic Mechanistic Puzzles with Molecular Modeling
  Gail Horowitz and Gary Schwartz
  Journal of Chemical Education2004 81 (8), 1136
  Molecular modeling projects in the form of mechanistic organic puzzles are described. Students, working in small groups, deduced reaction mechanisms and calculated heats of formation of intermediates and products in order to predict thermodynamic and ...
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