From data to analysis: linking NWChem and Avogadro with the syntax and semantics of Chemical Markup Language

BACKGROUND: Multidisciplinary integrated research requires the ability to couple thediverse sets of data obtained from a range of complex experiments andcomputer simulations. Integrating data requires semantically richinformation. In this paper an end-to-end use of semantically rich data incomputati...

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Detalles Bibliográficos
Autores principales: de Jong, Wibe A, Walker, Andrew M, Hanwell, Marcus D
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2013
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3764975/
https://www.ncbi.nlm.nih.gov/pubmed/23705910
http://dx.doi.org/10.1186/1758-2946-5-25

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3764975/
https://www.ncbi.nlm.nih.gov/pubmed/23705910
http://dx.doi.org/10.1186/1758-2946-5-25

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