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

Research output: Contribution to journal › Article

Original language	English
Pages (from-to)	574-585
Number of pages	12
Journal	International Journal of Quantum Chemistry
Volume	107
Publication status	Published - 2007

Cite this

@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",

publisher = "John Wiley and 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

VL - 107

SP - 574

EP - 585

JO - International Journal of Quantum Chemistry

JF - International Journal of Quantum Chemistry

ER -