Bridging experiment and theory: a template for unifying NMR data and electronic structure calculations

BACKGROUND: The testing of theoretical models with experimental data is an integral part of the scientific method, and a logical place to search for new ways of stimulating scientific productivity. Often experiment/theory comparisons may be viewed as a workflow comprised of well-defined, rote operat...

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Detalles Bibliográficos
Autores principales: Brown, David M. L., Cho, Herman, de Jong, Wibe A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2016
Materias:
Methodology
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4748447/
https://www.ncbi.nlm.nih.gov/pubmed/26865863
http://dx.doi.org/10.1186/s13321-016-0120-z

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4748447/
https://www.ncbi.nlm.nih.gov/pubmed/26865863
http://dx.doi.org/10.1186/s13321-016-0120-z

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