DFT Study of Solvation Effects on the Tautomeric Equlibrium and Catalytic Ylide Generation of Thiamin Models

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12 Citations (Scopus)

Original language	English
Journal	Journal of Computational Chemistry
Volume	29
Pages (from-to)	1037-1047
Number of pages	11
ISSN	0192-8651
Publication status	Published - 2008

Keywords

thiamin, cofactor activation, tautomeric equilibrium, solvent effects, proton transfer

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title = "DFT Study of Solvation Effects on the Tautomeric Equlibrium and Catalytic Ylide Generation of Thiamin Models",

keywords = "thiamin, cofactor activation, tautomeric equilibrium, solvent effects, proton transfer",

author = "Birgit Schi{\o}tt and Lie, {Mette Altrup}",

note = "Paper id:: 10.1002/jcc.20860",

year = "2008",

language = "English",

volume = "29",

pages = "1037--1047",

journal = "Journal of Computational Chemistry",

issn = "0192-8651",

publisher = "John Wiley & Sons Inc.",

}

TY - JOUR

T1 - DFT Study of Solvation Effects on the Tautomeric Equlibrium and Catalytic Ylide Generation of Thiamin Models

AU - Schiøtt, Birgit

AU - Lie, Mette Altrup

N1 - Paper id:: 10.1002/jcc.20860

PY - 2008

Y1 - 2008

KW - thiamin, cofactor activation, tautomeric equilibrium, solvent effects, proton transfer

M3 - Journal article

SN - 0192-8651

VL - 29

SP - 1037

EP - 1047

JO - Journal of Computational Chemistry

JF - Journal of Computational Chemistry

ER -