QM/MM excited state molecular dynamics and fluorescence spectroscopy of BODIPY

Journal of Physical Chemistry A

Volumn 117, Issue 12, 2013, Pages 2644-2650

  Briggs, Edward A ^a   Besley, Nicholas A ^a   Robinson, David ^a  

^a UNIVERSITY OF NOTTINGHAM   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO MOLECULAR DYNAMICS SIMULATION; ABSORPTION AND EMISSION SPECTRA; ABSORPTION AND EMISSIONS; CONDENSED-PHASE SIMULATIONS; DENSITY FUNCTIONAL THEORIES (DFT); EXCITED STATE STRUCTURES; QUANTUM MECHANICS/MOLECULAR MECHANICS; QUANTUM-MECHANICAL TREATMENTS;

DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; EMISSION SPECTROSCOPY; FLUORESCENCE SPECTROSCOPY; GASES; MOLECULAR DYNAMICS; MOLECULAR MODELING; QUANTUM THEORY; WATER ABSORPTION;

EXCITED STATES;

4,4 DIFLUORO 4 BORA 3A,4A DIAZA S INDACENE; 4,4-DIFLUORO-4-BORA-3A,4A-DIAZA-S-INDACENE; BORON DERIVATIVE; FLUORESCENT DYE; SOLVENT; WATER;

ARTICLE; CHEMISTRY; ELECTRON; GAS; MOLECULAR DYNAMICS; QUANTUM THEORY; SPECTROFLUOROMETRY;

BORON COMPOUNDS; ELECTRONS; FLUORESCENT DYES; GASES; MOLECULAR DYNAMICS SIMULATION; QUANTUM THEORY; SOLVENTS; SPECTROMETRY, FLUORESCENCE; WATER;

EID: 84875704143     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp312229b     Document Type: Article

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