Theoretical study on vibrational circular dichroism spectra of tris(acetylacetonato)metal(III) complexes: Anharmonic effects and low-lying excited states

Journal of Chemical Physics

Volumn 135, Issue 8, 2011, Pages

  Mori, Hirotoshi ^a   Yamagishi, Akihiko ^b   Sato, Hisako ^c  

^a OCHANOMIZU UNIVERSITY   (Japan)

^b TOHO UNIVERSITY   (Japan)

^c EHIME UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ANHARMONIC EFFECT; DENSITY FUNCTIONAL THEORY CALCULATIONS; DOUGLAS-KROLL; EXCHANGE-CORRELATION FUNCTIONALS; EXPERIMENTAL OBSERVATION; EXPERIMENTAL SPECTRA; HARMONIC APPROXIMATION; LOW-LYING EXCITED STATE; OPEN-SHELL; RELATIVISTIC CORRECTION; SECOND ORDERS; THEORETICAL STUDY; TIME DEPENDENT DENSITY FUNCTIONAL THEORY; VIBRATIONAL CIRCULAR DICHROISM SPECTRUM;

CHROMIUM; CHROMIUM COMPOUNDS; COBALT COMPOUNDS; DICHROISM; EXCITED STATES; RHODIUM; RHODIUM COMPOUNDS;

DENSITY FUNCTIONAL THEORY;

EID: 80052400386     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3624605     Document Type: Article

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