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

Journal of physical organic chemistry Volume 25 Issue 12 Page 1097-1104
published_at 2012-12
Title
Theoretical study of keto-enol tautomerism by quantum mechanical calculations (the QM/MC/FEP method)
Creators Kaweetirawatt Thanayuth
Creators Yamaguchi Toru
Creators Higashiyama Tsutomu
Creators Sumimoto Michinori
Creators Hori Kenji
Creator Keywords
ketone–enol equilibrium quantum mechanical/Monte Carlo/free-energy perturbation solvent effects tautomerization
Languages eng
Resource Type journal article
Publishers J. Wiley Wiley
Date Issued 2012-12
File Version Not Applicable (or Unknown)
Access Rights metadata only access
Relations
[ISSN]0894-3230
[ISSN]1099-1395
[NCID]AA1068044X
[NCID]AA11623951
info:doi/10.1002/poc.2944
[isVersionOf] [URI]http://onlinelibrary.wiley.com/journal/10.1002/(ISSN)1099-1395
Schools 大学院理工学研究科(工学)