Time-dependent density functional theory study of structure-property relationships in diarylethene photochromic compounds

Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics)

Volumn 5545 LNCS, Issue PART 2, 2009, Pages 211-220

  Patel, Pansy D ^a   Masunov, Artëm E ^a  

^a UNIVERSITY OF CENTRAL FLORIDA   (United States)

Author keywords

Bond length alternation; Density functional theory; Electronic spectra; Molecular structure; Photochromism

Indexed keywords

ABSORPTION WAVELENGTHS; BASIS SETS; BEFORE AND AFTER; BOND LENGTH ALTERNATION; CLOSED FORM; DATA STORAGE; DIARYLETHENE DERIVATIVES; DIARYLETHENES; ELECTRONIC SPECTRA; EQUILIBRIUM GEOMETRIES; GEOMETRY OPTIMIZATION; ISOMERIC FORMS; OPTICAL SWITCHING; PHOTOCHROMIC COMPOUND; PHOTOCYCLIZATION; PHYSICAL AND CHEMICAL PROPERTIES; POLARIZATION FUNCTIONS; REVERSIBLE TRANSITIONS; SPECTRAL PARAMETERS; STRUCTURE PROPERTY RELATIONSHIPS; TIME DEPENDENT DENSITY FUNCTIONAL THEORY; TIME-DEPENDENT DFT; X RAY DATA;

ABSORPTION; BOND LENGTH; CHEMICAL PROPERTIES; LIGHT ABSORPTION; MOLECULAR STRUCTURE; OPTICAL DATA STORAGE; PHOTOCHROMISM; PROBABILITY DENSITY FUNCTION; SET THEORY;

DENSITY FUNCTIONAL THEORY;

EID: 70149099572     PISSN: 03029743     EISSN: 16113349     Source Type: Book Series    
DOI: 10.1007/978-3-642-01973-9_24     Document Type: Conference Paper

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