Substitution effects on the optical spectra of diarylethene photochroms: Ab initio insights

Molecular Simulation

Volumn 36, Issue 1, 2010, Pages 74-78

  Laurent, Adèle D ^a   Assfeld, Xavier ^a   Jacquemin, Denis ^b   André, Jean Marie ^b,c   Perpète, Eric A ^b  

^a NANCY UNIVERSITÉ   (France)

^b UNIVERSITY OF NAMUR   (Belgium)

^c Laboratoire d'Anthropologie   (Belgium)

Author keywords

Diarylethenes; Optical spectra; Photochromism; TD DFT; UV vis absorption

Indexed keywords

AB INITIO; BULK SOLVENTS; CARBON ATOMS; CLOSED FORM; CYCLOPENTADIENYL RINGS; DIARYLETHENES; HETEROATOM SUBSTITUTION; OPTICAL SPECTRA; RESONANCE EFFECT; STRUCTURAL CHANGE; SUBSTITUTION EFFECT; TIME-DEPENDENT DENSITY;

ABSORPTION; MALEIC ANHYDRIDE; PHOTOCHROMISM; PROBABILITY DENSITY FUNCTION; ULTRAVIOLET SPECTROSCOPY;

OLEFINS;

EID: 74549181354     PISSN: 08927022     EISSN: 10290435     Source Type: Journal    
DOI: 10.1080/08927020903124551     Document Type: Article

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