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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...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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Springer International Publishing
2016
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| 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 |