Computational Quantum Chemistry Experiments via the Web

  • Brian F. Yates
  • Brian J. Duke
Conference paper
Part of the Lecture Notes in Computer Science book series (LNCS, volume 2660)


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.


Input Type Chemistry Program Quantum Chemistry Program Undergraduate Experiment Unix Command 


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Copyright information

© Springer-Verlag Berlin Heidelberg 2003

Authors and Affiliations

  • Brian F. Yates
    • 1
  • Brian J. Duke
    • 2
  1. 1.School of ChemistryUniversity of TasmaniaHobartAustralia
  2. 2.School of Biological, Environmental and Chemical SciencesNorthern Territory UniversityDarwinAustralia

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