The base-catalyzed keto-enol tautomerism of chrysophanol anthrone. A DFT investigation of the base-catalyzed reaction-Reference-Cited by-同舟云学术

The base-catalyzed keto-enol tautomerism of chrysophanol anthrone. A DFT investigation of the base-catalyzed reaction

Published:2019-02-21 Issue:9 Volume:45 Page:716-723
ISSN:0892-7022
Container-title:Molecular Simulation
language:en
Short-container-title:Molecular Simulation

Author:

Marrero-Carballo Rubén¹,Tun-Rosado Fernando²,Mena-Rejón Gonzalo J.¹,Cáceres-Castillo David¹,Barroso Jorge³,Murillo Fernando³,Merino Gabriel³,Quijano-Quiñones Ramiro F.²

Affiliation:

1. Laboratorio de Química Farmacéutica, Facultad de Química, Universidad Autónoma de Yucatán, Mérida, México

2. Laboratorio de Química Teórica, Facultad de Química, Universidad Autónoma de Yucatán, Mérida, México

3. Departamento de Física Aplicada, Centro de Investigación y de Estudios Avanzados, Mérida, México

Funder

Facultad de Química, Universidad Autonoma de Yucatan

Publisher

Informa UK Limited

Subject

Condensed Matter Physics,General Materials Science,General Chemical Engineering,Modeling and Simulation,Information Systems,General Chemistry

Link

https://www.tandfonline.com/doi/pdf/10.1080/08927022.2019.1581937

Reference51 articles.

1. Prototropic tautomerism and basic molecular principles of hypoxanthine mutagenicity: an exhaustive quantum-chemical analysis

2. Tautomeric Equilibrium of Uracil and Thymine in Model Protein−Nucleic Acid Contacts. Spectroscopic and Quantum Chemical Approach

3. How stable are the mutagenic tautomers of DNA bases?

4. Stability of mutagenic tautomers of uracil and its halogen derivatives: the results of quantum-mechanical investigation

5. Antonov L. Tautomerism: introduction, history, and recent developments in experimental and theoretical methods. Tautomerism: methods and theories. Weinheim: Wiley-VCH; 2013.

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