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ERIC Number: EJ1068984
Record Type: Journal
Publication Date: 2015-Jul
Pages: 3
Abstractor: As Provided
ISSN: ISSN-0021-9584
Integrating Computational Chemistry into a Course in Classical Thermodynamics
Martini, Sheridan R.; Hartzell, Cynthia J.
Journal of Chemical Education, v92 n7 p1201-1203 Jul 2015
Computational chemistry is commonly addressed in the quantum mechanics course of undergraduate physical chemistry curricula. Since quantum mechanics traditionally follows the thermodynamics course, there is a lack of curricula relating computational chemistry to thermodynamics. A method integrating molecular modeling software into a semester long thermodynamics course is proposed in this paper. With the introduction to a computational chemistry program earlier in their undergraduate curriculum, students are given more opportunity to appreciate the vast applications and benefits of the science. The structure of the out-of-class assignments has been modified over the course of three semesters in order to improve correlation with lecture material and focus the goals of each lesson.
Division of Chemical Education, Inc and ACS Publications Division of the American Chemical Society. 1155 Sixteenth Street NW, Washington, DC 20036. Tel: 800-227-5558; Tel: 202-872-4600; e-mail:; Web site:
Publication Type: Journal Articles; Reports - Descriptive
Education Level: Higher Education; Postsecondary Education
Audience: N/A
Language: English
Sponsor: N/A
Authoring Institution: N/A
Identifiers - Location: Arizona
Grant or Contract Numbers: N/A