Excited state geometry calculations and the resonance Raman spectrum of hexamethylpyrromethene

Journal of Molecular Structure

Volumn 661-662, Issue 1-3, 2003, Pages 611-624

  Mroginski, M A ^a   Kneip, C ^b   Hildebrandt, P ^a   Mark, F ^b  

^a TECHNISCHE UNIVERSITÄT BERLIN   (Germany)

^b MAX PLANCK INSTITUTE FOR CHEMICAL ENERGY CONVERSION   (Germany)

Author keywords

Exited state; Hexamethylpyrromethene; Newton Raphson; Resonance Raman spectrum; Time dependent DFT

Indexed keywords

METHYL GROUP;

ALGORITHM; ARTICLE; DENSITY FUNCTIONAL THEORY; GEOMETRY; INFRARED SPECTROSCOPY; MATHEMATICAL ANALYSIS; QUANTUM CHEMISTRY; RAMAN SPECTROMETRY; THEORY;

EID: 0842327664     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2003.07.031     Document Type: Article

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