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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...
Guardado en:
| Publicado en: | J Cheminform |
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| Autores principales: | , , |
| Formato: | Artigo |
| Lenguaje: | Inglês |
| Publicado: |
Springer International Publishing
2016
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| Materias: | |
| Acceso en línea: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4748447/ https://ncbi.nlm.nih.gov/pubmed/26865863 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/s13321-016-0120-z |
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