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  Home > JCE Print > Journal of Chemical Education > Issues > 2008  > September  >
On the Web
Computer Bulletin Board
Quantum Chemistry Laboratory at Home
Juan C. Paniagua, Fernando Mota, Albert Solé, and Eudald Vilaseca
Departament de Química Física, Universitat de Barcelona, E-08028 Barcelona, Spain
Cover
September 2008
Vol. 85 No. 9
p. 1288
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.
Supplement
English translation of the file read-me contained in the live CD QQuantix 2.3
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Contents
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More Information
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Citation
Paniagua, Juan C.; Mota, Fernando; Solé, Albert; Vilaseca, Eudald. J. Chem. Educ. 2008, 85, 1288.
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Keywords
Computational Chemistry; Computer-Based Learning; Distance Learning / Self Instruction; Laboratory Instruction; MO Theory; Molecular Properties / Structure; Physical Chemistry; Quantum Chemistry; Thermodynamics; Upper-Division Undergraduate
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History
Created:
Last Updated:
8/4/2008
8/4/2008
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