Difference: DevelopingTheDataRepresentation (5 vs. 6)

Revision 617 Jan 2005 - Main.PhilipCouch

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Developing a Data Model for Computational Chemistry

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 development of a data representation for quantum chemical data. This outline text, and the more detailed discussions accessed via the links in this document, are taken from a paper
Data modelling for computational chemistry - a methodology? .
Data modelling for computational chemistry - a methodology.
  by Philip Couch, Daresbury Laboratory.

As discussed in ECCP1Activities, we are hoping to develop a way to represent

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