Identification of the best DFT functionals for a reliable prediction of lignin vibrational properties

Soren Barsberg

4 Citations (Scopus)

Original language	English
Article number	33
Journal	Theoretical Chemistry Accounts
Volume	134
ISSN	1432-881X
DOIs	https://doi.org/10.1007/s00214-015-1638-2
Publication status	Published - Mar 2015

Keywords

@article{ee4676f7e0384d31bf9740a42db485ac,

title = "Identification of the best DFT functionals for a reliable prediction of lignin vibrational properties",

keywords = "Lignin, Infrared, Raman, Density functional theory, Assignments",

author = "Soren Barsberg",

year = "2015",

month = mar,

doi = "10.1007/s00214-015-1638-2",

language = "English",

volume = "134",

journal = "Theoretical Chemistry Accounts",

issn = "1432-881X",

publisher = "Springer",

}

TY - JOUR

T1 - Identification of the best DFT functionals for a reliable prediction of lignin vibrational properties

AU - Barsberg, Soren

PY - 2015/3

Y1 - 2015/3

KW - Lignin

KW - Infrared

KW - Raman

KW - Density functional theory

KW - Assignments

U2 - 10.1007/s00214-015-1638-2

DO - 10.1007/s00214-015-1638-2

M3 - Journal article

SN - 1432-881X

VL - 134

JO - Theoretical Chemistry Accounts

JF - Theoretical Chemistry Accounts

M1 - 33

ER -