(Q79838744)
English
Influence of molecular geometry, exchange-correlation functional, and solvent effects in the modeling of vertical excitation energies in phthalocyanines using time-dependent density functional theory (TDDFT) and polarized continuum model TDDFT metho
scientific article published on 16 November 2007
Statements
Influence of molecular geometry, exchange-correlation functional, and solvent effects in the modeling of vertical excitation energies in phthalocyanines using time-dependent density functional theory (TDDFT) and polarized continuum model TDDFT methods: can modern computational chemistry methods explain experimental controversies? (English)
Ryan G Hadt
Rodion V Belosludov
Hiroshi Mizuseki
Yoshiyuki Kawazoe
16 November 2007