Simulations of the emission spectra of fac-tris(2-phenylpyridine) iridium and Duschinsky rotation effects using the Herman-Kluk semiclassical initial value representation method

Journal of Chemical Physics

Volumn 129, Issue 21, 2008, Pages

  Wu, Yinghua ^a   Bŕdas, Jean Luc ^a  

^a GEORGIA INSTITUTE OF TECHNOLOGY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

IRIDIUM; LIGHT EMISSION; LUMINESCENCE; OSCILLATORS (ELECTRONIC); OSCILLATORS (MECHANICAL); PHOSPHORESCENCE; POLYNOMIAL APPROXIMATION; POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY; ROTATION; SYSTEMS ANALYSIS;

BLUE SHIFTS; DEGREES OF FREEDOMS; DUSCHINSKY ROTATION EFFECTS; HARMONIC OSCILLATOR APPROXIMATIONS; INITIAL VALUE REPRESENTATIONS; IR(PPY)3; LARGE SYSTEMS; MODE MIXING; PHOSPHORESCENT EMISSIONS; PHOTOPHYSICS; POWERFUL TOOLS; RELATIVE INTENSITIES; SEMICLASSICAL INITIAL VALUE REPRESENTATIONS; SIMULATED EMISSIONS;

EMISSION SPECTROSCOPY;

EID: 57449085730     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3027514     Document Type: Article

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