Integrating Computational Chemistry into a Course in Classical Thermodynamics
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Sheridan R. Martini [1] ; Cynthia J. Hartzell [1]
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[1] Northern Arizona University
Northern Arizona University
Estados Unidos
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- Localización: Journal of chemical education, ISSN 0021-9584, Vol. 92, Nº 7, 2015, págs. 1201-1203
- Idioma: inglés
- Texto completo no disponible (Saber más ...)
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Resumen
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.
