Backlinks to Schema in ECCP Web (Search all webs)

Results from ECCP web retrieved at 23:25 (GMT)

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...
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...
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...
eCCP1 activities In general terms, the eCCP1 project is investigating e science for quantum chemistry. More specifically, the project aims to study the requirements...
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...
Metadata and provenance In addition to representing quantum chemistry data, there is a requirement to be able to represent metadata. This would include data such as...
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...
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....
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: 17

 
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