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Quantum Chemistry Laboratory at Home

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Juan C. Paniagua , Fernando Mota , Albert Solé and Eudald Vilaseca

Departament de Química Física, Universitat de Barcelona, E-08028 Barcelona, Spain

J. Chem. Educ., 2008, 85 (9), p 1288

DOI: 10.1021/ed085p1288

Publication Date (Web): September 1, 2008

Section:

History, Education, and Documentation

Abstract

This article describes our experience with a short quantum chemistry laboratory in which the required software is contained on an auto-starting CD (live CD). The students use it at the university's computer-room to get acquainted with it. Then the CD is given to the students so that they can complete or supplement the laboratory work in their homes and use it to prepare for the final exam. The use of this live CD avoids the complications of tedious software installations that can be a source of conflict with other users of the computer. The live CD contains a GNU/Linux operating system with free software to perform quantum chemistry calculations and to visualize their results. A questionnaire completed by the students suggests that the students found the tool beneficial for completing the work performed at the computer laboratory and gaining a better understanding for the exam.

Keywords (Audience):

Upper-Division Undergraduate

Keywords (Domain):

Laboratory Instruction

Keywords (Feature):

Computer Bulletin Board

Keywords (Pedagogy):

Computer-Based Learning

Keywords (Subject):

Computational Chemistry

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

Quantum Chemistry Laboratory at Home: Microsoft Windows Alternative
Gilles Olive and David Riffont
Journal of Chemical Education2009 86 (5), 567
- Quantum Chemistry Laboratory at Home: Microsoft Windows Alternative
  Gilles Olive and David Riffont
  Journal of Chemical Education2009 86 (5), 567
  Describes the use of USB flash drives and free Windows software to perform a previously published quantum chemistry laboratory at home.
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