Calculating Electronic Optical Activity of Coordination Compounds

Comprehensive Inorganic Chemistry II (Second Edition): From Elements to Applications

Volumn 9, Issue , 2013, Pages 407-426

  Autschbach, J ^a  

^a UNIVERSITY AT BUFFALO   (United States)

Author keywords

Circular dichroism; Excitation spectra; Metal complexes; Optical rotation; Optical rotatory dispersion; Quantum theory; Time dependent perturbation theory

Indexed keywords

CALCULATIONS; CHARGE TRANSFER; CHROMOPHORES; DICHROISM; EXCITONS; LIGANDS; METAL COMPLEXES; METALS; OPTICAL MATERIALS; OPTICAL ROTATION; PERTURBATION TECHNIQUES; QUANTUM THEORY;

COORDINATION COMPOUNDS; EXCITATION SPECTRUM; FIRST-PRINCIPLES CALCULATION; FIRST-PRINCIPLES THEORY; LIGAND-TO-METAL CHARGE TRANSFERS; OPTICAL ROTATORY DISPERSION; TIME DEPENDENT DENSITY FUNCTIONAL THEORY; TIME-DEPENDENT PERTURBATION THEORY;

DENSITY FUNCTIONAL THEORY;

EID: 84902558121     PISSN: None     EISSN: None     Source Type: Book    
DOI: 10.1016/B978-0-08-097774-4.00917-7     Document Type: Chapter

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