Backlinks to CML in ECCP Web (Search all webs)

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Array Entity Example 1. (CML) The dictRef attribute is used to point to an XML dictionary entry that provides information on the type of data held in the element....
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...
Toward a Common Data and Command Representation for Quantum Chemistry Couch P.A. Daresbury Laboratory, Daresbury, Warrington, Cheshire, WA44AD, UK. Introduction The...
Data Modelling for Computational Chemistry ...
Data Representation This page provides links to UML and XML schema data models and examples of markup. Markup examples Entities http://tyne.dl.ac.uk/twiki/pub/ECCP...
Developing a Data Model for Computational Chemistry Outline of discussion topics On this page you will find a summary of the issues that have arisen so far in our...
Development Area Basis set atomic basis set example orbital example: Li2 orbital example: O (atom) PhilipCouch 28 Feb 2005
Existing XML languages with relevance to quantum chemistry The domain of computational chemistry is fortunate in that XML representations already exist for a number...
General data containers In some cases, it is a good idea to group concepts into classes and attempt to find a common representation for the class. For example, there...
Matrix entity Example 1. (CML) 0.1710295 0.0000275 0.0358451 0.0029979 0.3303069 0.0915037 0.1705754 0.0000402 0.0358940 0....
Molecular orbital 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 7....
Molecule entity Example 1. (CML) Question: What data should be included as part of the molecule entity? For example, should the molecular name, charge and spin multiplicity...
News items eCCP1 mail list setup at eccp data #64;forge.nesc.ac.uk. The web interface is at http://forge.nesc.ac.uk/pipermail/eccp data/ 04.05.04 NeSCForge...
RDF link 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 7.868272 1.881289 0....
Scalar entity Example 1. (CML) 1 PhilipCouch 10 Nov 2004
Data Modelling for Computational Chemistry a Summary (Draft) Philip Couch Daresbury Laboratory, Daresbury, Warrington, Cheshire, UK. WA4 4AD. Adoption of a markup...
Vibration Association Example 1. (CML) 0.1710295 0.0000275 0.0358451 0.0029979 0.3303069 0.0915037 0.1705754 0.0000402 0....
Statistics for ECCP Web Month: Topic views: Topic saves: File uploads: Most popular topic views: Top contributors for topic save and uploads...
Xlink link 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 7.868272 1.881289 0....
Number of topics: 19

 
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