DFT Meets Wave-Function Composite Methods for Characterizing Cytosine Tautomers in the Gas Phase
Author:
Affiliation:
1. Scuola Normale Superiore di Pisa, Piazza dei Cavalieri 7, 56126 Pisa, Italy
Funder
Ministero dell'Universit? e della Ricerca
Agenzia Spaziale Italiana
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.3c00465
Reference96 articles.
1. Tautomeric Equilibria in Relation to Pi-Electron Delocalization
2. Tautomerism in nucleic acid bases and base pairs: a brief overview
3. Accurate vibrational spectra of large molecules by density functional computations beyond the harmonic approximation: the case of uracil and 2-thiouracil
4. The Structure of Uracil: A Laser Ablation Rotational Study
5. Extending the molecular size in accurate quantum-chemical calculations: the equilibrium structure and spectroscopic properties of uracil
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