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Computational quantum chemistry experiments via the web

Yates, BF and Duke, BJ (2003). Computational quantum chemistry experiments via the web. Computational Science — ICCS 2003,2660:132-141.

Document type: Journal Article
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Title Computational quantum chemistry experiments via the web
Author Yates, BF
Duke, BJ
Journal Name Computational Science — ICCS 2003
Publication Date 2003
Volume Number 2660
ISSN 0302-9743   (check CDU catalogue open catalogue search in new window)
Scopus ID 2-s2.0-35248876228
Start Page 132
End Page 141
Total Pages 10
Place of Publication Heidelberg
Publisher Springer
Abstract The use of web technology for the provision of efficient and user-friendly interfaces to a variety of computational chemistry programs used in undergraduate experiments is described. Together with pedagogical descriptions of the theory, these interfaces are used to enhance the accessibility of experiments in computational quantum chemistry for senior students at the undergraduate level. The advantages and disadvantages of this approach are discussed and recommendations for future incorporation into the curriculum are made.
DOI http://dx.doi.org/10.1007/3-540-44864-0   (check subscription with CDU E-Gateway service for CDU Staff and Students  check subscription with CDU E-Gateway in new window)
 
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