Theoretical study of keto-enol tautomerism by quantum mechanical calculations (the QM/MC/FEP method)-Reference-Cited by-同舟云学术

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Theoretical study of keto-enol tautomerism by quantum mechanical calculations (the QM/MC/FEP method)

Published:2012-12 Issue:12 Volume:25 Page:1097-1104
ISSN:0894-3230
Container-title:Journal of Physical Organic Chemistry
language:en
Short-container-title:J. Phys. Org. Chem.

Author:

Kaweetirawatt Thanayuth¹²,Yamaguchi Toru²,Higashiyama Tsutomu³,Sumimoto Michinori²,Hori Kenji²

Affiliation:

1. Ube Technical Center (Asia) Co., Ltd; 140/8 Moo4, Tambol Tapong Muang Rayong Rayong 21000 Thailand

2. Graduate School of Science and Engineering; Yamaguchi University; 2-16-1 Tokiwadai Ube Yamaguchi 755-8611 Japan

3. Nissan Chemical Industries Ltd; 722-1 Tsuboi Cho Funabashi Shi Chiba 274-8507 Japan

Publisher

Wiley

Subject

Organic Chemistry,Physical and Theoretical Chemistry

Link

http://onlinelibrary.wiley.com/wol1/doi/10.1002/poc.2944/fullpdf

Reference48 articles.

1. Lactam/lactim tautomeric interconversion mechanism of 2-pyridone in aqueous solution

2. Water chain intervention in hydrolytic and tautomeric reactions

3. A water-mediated tautomerism mechanism in formamide and amidine. Anab initio study

4. Dynamics of double proton exchange in the formamidine-water system

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1. Theoretical and experimental mechanistic study of water molecule involvement in the Prilezhaev reaction;Physical Chemistry Chemical Physics;2023

2. Thermally‐Activated Tunneling in the Two‐Water Bridge Catalyzed Tautomerization of Phosphinylidene Compounds**;ChemPhysChem;2022-08-18

3. BEP-Like Correction of Nonequilibrium Thermodynamic Parameters of the Solvent-Assisted Reactions: The DFT and Ab Initio Study of Hydration, Peroxidation, and Enolization of Acetone and 1,1,1-Trifluoroacetone in Aqueous Solutions;The Journal of Physical Chemistry A;2021-08-19

4. A method to search the most stable reaction pathway and its application to the Pinner Pyrimidine Synthesis reaction;Journal of Computer Aided Chemistry;2021

5. DFT-PCM Study on Structures of Phthalazinone Tautomers;CHEM METHODOL;2020

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