A TD-DFT investigation of UV spectra of pyranoïdic dyes: a NCM vs PCM comparison

Julien Preat, Pierre-François Loos, Xavier Assfeld, Denis Jacquemin, Eric Perpète

Research output: Contribution to journal › Article

Original language	English
Pages (from-to)	85-91
Number of pages	7
Journal	Journal of molecular structure: THEOCHEM
Volume	808
Publication status	Published - 2007

Cite this

@article{4d14608c4aec499a9f817aad2f2598e7,

title = "A TD-DFT investigation of UV spectra of pyrano{\"i}dic dyes: a NCM vs PCM comparison",

author = "Julien Preat and Pierre-Fran{\c c}ois Loos and Xavier Assfeld and Denis Jacquemin and Eric Perp{\`e}te",

note = "Publication code : RES. ACAD.",

year = "2007",

language = "English",

volume = "808",

pages = "85--91",

journal = "Journal of molecular structure: THEOCHEM ",

issn = "1872-7999",

publisher = "Elsevier",

}

TY - JOUR

T1 - A TD-DFT investigation of UV spectra of pyranoïdic dyes: a NCM vs PCM comparison

AU - Preat, Julien

AU - Loos, Pierre-François

AU - Assfeld, Xavier

AU - Jacquemin, Denis

AU - Perpète, Eric

N1 - Publication code : RES. ACAD.

PY - 2007

Y1 - 2007

M3 - Article

SN - 1872-7999

VL - 808

SP - 85

EP - 91

JO - Journal of molecular structure: THEOCHEM

JF - Journal of molecular structure: THEOCHEM

ER -