Recent Changes in ECCP Web retrieved at 07:23 (GMT)

Data Modelling for Computational Chemistry ...
The data model design A way of specifying XML representations for quantum chemistry concepts is required, and can be achieved using W3C XML schemas. XML schemas are...
The relationships between concepts If a modular approach is adopted for the data model, the representation of the concepts alone is not enough. It is also a requirement...
Basis set entity Example 1. (eCCP) This is an example of an XML Gaussian atomic basis set (6 31G). 3047.524880 457.369518 103.948685 29.210155 9.286663 3....
Basis set assignment association Example 1. 3047.524880 457.369518 103.948685 29.210155 9.286663 3.163927 0.001835 0.014037 0.068843 0.232184 0.467941 0.362312...
A test PhilipCouch 26 Apr 2006
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Topic revision: r1 - 16 Aug 2001 - PeterThoeny
 
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