Calculation of 0-0 excitation energies of organic molecules by CIS(D) quantum chemical methods

Chemical Physics

Volumn 305, Issue 1-3, 2004, Pages 223-230

  Grimme, Stefan ^a   Izgorodina, Ekaterina I ^a  

^a UNIVERSITY OF MÜNSTER   (Germany)

Author keywords

CIS(D); Excitation energies; Excited state geometries; Spin component scaling

Indexed keywords

CARBONYL DERIVATIVE; DIMETHYLAMINOBENZONITRILE; INDOLE DERIVATIVE; NITRILE; ORGANIC COMPOUND; POLYCYCLIC AROMATIC COMPOUND; POLYENE; UNCLASSIFIED DRUG;

AB INITIO CALCULATION; ACCURACY; ANALYTIC METHOD; ANALYTICAL ERROR; ARTICLE; ENERGY; GEOMETRY; MATHEMATICAL ANALYSIS; ORGANIC CHEMISTRY; QUANTUM CHEMISTRY; THEORETICAL MODEL;

EID: 4644245553     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemphys.2004.06.050     Document Type: Article

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