Barrierless Inter and Intramolecular Proton Transfer; A DFT Study of Tautomerism in Microsolvated and Protonated Systems
Author:
Affiliation:
1. Department of Chemistry, Isfahan University of Technology, Isfahan 84156-83111, Iran
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp4038232
Reference49 articles.
1. Tautomeric preferences of phthalones and related compounds
2. Tautomerism of aza cycles: II. Synthesis and structure of 5-substituted 3-(2-hydroxyethylsulfanyl)-1H-1,2,4-triazoles and their salts. Preference of the 1H,4H-1,2,4-triazolium tautomers
3. Tautomeric crown-containing chemosensors for alkali-earth metal cations
4. DFT studies on tautomerism of C5-substituted 1,2,4-triazoles
5. A DFT-based comparative study on the excited states intramolecular proton transfer in 1-hydroxy-2-naphthaldehyde and 2-hydroxy-3-naphthaldehyde
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