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DFT Meets Wave-Function Composite Methods for Characterizing Cytosine Tautomers in the Gas Phase
[Image: see text] A general strategy for the accurate computation of structural and spectroscopic properties of biomolecule building blocks in the gas phase has been further improved and validated with a special reference to tautomeric equilibria. The main improvements concern the use of the cc-pVTZ...
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2023
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10413851/ https://www.ncbi.nlm.nih.gov/pubmed/37479680 http://dx.doi.org/10.1021/acs.jctc.3c00465 |