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
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
[isVersionOf]
[URI]http://onlinelibrary.wiley.com/journal/10.1002/(ISSN)1099-1395
Schools
大学院理工学研究科（工学）