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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...
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| Vydáno v: | J Cheminform |
|---|---|
| Hlavní autoři: | , , |
| Médium: | Artigo |
| Jazyk: | Inglês |
| Vydáno: |
Springer International Publishing
2016
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| Témata: | |
| On-line přístup: | 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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