Modeling solvatochromism of Nile red in water

International Journal of Quantum Chemistry

Volumn 111, Issue 7-8, 2011, Pages 1521-1530

  Murugan, Natarajan Arul ^a   Rinkevicius, Zilvinas ^a   Ågren, Hans ^a  

^a ROYAL INSTITUTE OF TECHNOLOGY   (Sweden)

Author keywords

CPMD; CPMD QM MM calculations; Nile red; solvatochromism; solvent effect on absorption spectra

Indexed keywords

CPMD; NILE RED; QM/MM CALCULATIONS; SOLVATOCHROMISM; SOLVENT EFFECT ON ABSORPTION SPECTRA;

ABSORPTION; ABSORPTION SPECTRA; ABSORPTION SPECTROSCOPY; DISTRIBUTION FUNCTIONS; GASES; LIGHT ABSORPTION; MOLECULAR DYNAMICS; MOLECULES; QUANTUM THEORY; SHELLS (STRUCTURES); SOLVATION;

SOLVENTS;

EID: 79952653782     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.22655     Document Type: Article

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