Sumimoto Michinori

Affiliate Master Yamaguchi University

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）