Absorption and emission spectra in gas-phase and solution using TD-DFT: Formaldehyde and benzene as case studies

Chemical Physics Letters

Volumn 421, Issue 1-3, 2006, Pages 272-276

  Jacquemin, Denis ^a   Perpète, Eric A ^a   Scalmani, Giovanni ^b   Frisch, Michael J ^b   Ciofini, Ilaria ^c   Adamo, Carlo ^c  

^a UNIVERSITY OF NAMUR   (Belgium)

^b GAUSSIAN INC   (United States)

^c PSL RESEARCH UNIVERSITY   (France)

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION; FLUORESCENCE; FORMALDEHYDE; POLARIZATION;

CONTINUUM MODELS; FLUORESCENCE TRANSITION ENERGIES; RELAXED SINGLET EXCITED STATES; TIME-DEPENDENT DENSITY FUNCTIONAL THEORY;

BENZENE;

EID: 33644972580     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2006.01.068     Document Type: Article

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