Abstract
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.
| Original language | English (US) |
|---|---|
| Pages (from-to) | 1201-1203 |
| Number of pages | 3 |
| Journal | Journal of Chemical Education |
| Volume | 92 |
| Issue number | 7 |
| DOIs | |
| State | Published - Apr 15 2015 |
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Keywords
- Computational Chemistry
- Computer-Based Learning
- Physical Chemistry
- Upper-Division Undergraduate
ASJC Scopus subject areas
- Chemistry(all)
- Education
Cite this
Integrating Computational Chemistry into a Course in Classical Thermodynamics. / Martini, Sheridan R.; Hartzell, Cynthia J.
In: Journal of Chemical Education, Vol. 92, No. 7, 15.04.2015, p. 1201-1203.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Integrating Computational Chemistry into a Course in Classical Thermodynamics
AU - Martini, Sheridan R.
AU - Hartzell, Cynthia J
PY - 2015/4/15
Y1 - 2015/4/15
N2 - 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.
AB - 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.
KW - Computational Chemistry
KW - Computer-Based Learning
KW - Physical Chemistry
KW - Upper-Division Undergraduate
UR - http://www.scopus.com/inward/record.url?scp=84949460629&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=84949460629&partnerID=8YFLogxK
U2 - 10.1021/ed500924u
DO - 10.1021/ed500924u
M3 - Article
AN - SCOPUS:84949460629
VL - 92
SP - 1201
EP - 1203
JO - Journal of Chemical Education
JF - Journal of Chemical Education
SN - 0021-9584
IS - 7
ER -