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  Home > JCE Print > Journal of Chemical Education > Issues > 2005  > July  >
In the Classroom
Computer Modeling and Research in the Classroom
Maria João Ramos and Pedro Alexandrino Fernandes
REQUIMTE, Departamento de Qímica, Faculdade de Ciências, Universidade do Porto, 4169-007 Porto, Portugal

Cover
July 2005
Vol. 82 No. 7
p. 1021

Abstract
We report on a computational chemistry course for undergraduate students that successfully incorporated a research project on the design of new contrast agents for magnetic resonance imaging and shift reagents for in vivo NMR. Course outcomes were positive: students were quite motivated during the whole year—they learned what was required of them, including the difficult theory determining the behavior of molecules represented by onscreen images from the computer modeling software. We discuss the students' results as well as the advantages and disadvantages of teaching this sort of course from both the students' and teachers' points of view.
Supplement
[Ed. Note: The supplementary material provided by the author is in Portuguese. An English version has been requested from the author.]

An example research project report from a group of two students is available.

The report has also been published: New Designs For MRI Contrast Agents, P. A. Fernandes, A. T. P. Carvalho, A. T. Marques, A. L. F. Pereira, A. P. S. Madeira, A. S. P. Ribeiro, A. F. R. Carvalho, E. T. A. Ricardo, F. J. V. Pinto, H. A. Santos, H. D. G. Mangericão, H. M. Martins, H. D. B. Pinto, H. R. R. Santos, I. S. Moreira, M. J. V. Azeredo, R. P. S. Abreu, R. M. S. Oliveira, S. F. M. Sousa, R. J. A. M. Silva, Z. S. MourĂ£o, and M. J. Ramos, J. Comp.-Aided Mol. Design, 2003, 17, 463-473.

*  Contents Folder JCE2005p1021W containing program files.
*  Download
JCE2005p1021W.zip



More Information
*  Citation
Ramos, Maria João ; Fernandes, Pedro Alexandrino. J. Chem. Educ. 2005 82 1021.
*  Keywords
Computational Chemistry; Enrichment / Review Materials; Molecular Mechanics / Dynamics; Molecular Modeling
*  History
Created:
Last Updated:
May 31, 2005
June 9, 2005
  Home > JCE Print > Journal of Chemical Education > Issues > 2005  > July  > Page 1021


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