DFT and TD-DFT investigation of IR and UV spectra of solvated molecules: comparison of two SCRF continuum models

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

Résultats de recherche: Contribution à un journal/une revue › Article

langue originale	Anglais
Pages (de - à)	574-585
Nombre de pages	12
journal	International Journal of Quantum Chemistry
Volume	107
Etat de la publication	Publié - 2007

Contient cette citation

@article{617f7c8b601a4bf2816e6a5ccefc9280,

title = "DFT and TD-DFT investigation of IR and UV spectra of solvated molecules: comparison of two SCRF continuum models",

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 = "107",

pages = "574--585",

journal = "International Journal of Quantum Chemistry",

issn = "1097-461X",

publisher = "John Wiley & Sons Inc.",

}

TY - JOUR

T1 - DFT and TD-DFT investigation of IR and UV spectra of solvated molecules: comparison of two SCRF continuum models

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 - 1097-461X

VL - 107

SP - 574

EP - 585

JO - International Journal of Quantum Chemistry

JF - International Journal of Quantum Chemistry

ER -