Electronic spectroscopy of biomolecules in solution: Fluorescein dianion in water

Molecular Physics

Volumn 108, Issue 21-23, 2010, Pages 3125-3130

  Silva, Daniel L ^a   Coutinho, Kaline ^a   Canuto, Sylvio ^a  

^a UNIVERSITY OF SÃO PAULO   (Brazil)

Author keywords

fluorescein dianion; QM MM; solvent effect; uv vis absorbtion

Indexed keywords

AQUEOUS ENVIRONMENT; DIANIONS; ELECTRONIC ABSORPTION SPECTRA; ELECTRONIC SPECTROSCOPY; ELECTRONIC SPECTRUM; ELECTROSTATIC FIELD; EXPLICIT SOLVENTS; EXPLICIT WATER; MONTE CARLO SIMULATION; POSTERIORI; QM/MM; QUANTUM MECHANICS; QUANTUM-MECHANICAL CALCULATION; SEMI-EMPIRICAL APPROACH; SEQUENTIAL MONTE CARLO; SOLVATOCHROMIC SHIFTS; SOLVENT EFFECT; SOLVENT MOLECULES; SPECTRAL SHIFT; UV-VIS ABSORBTION; VALENCE ELECTRON; WATER MOLECULE;

ABSORPTION SPECTROSCOPY; COMPUTER SIMULATION; MONTE CARLO METHODS; POLYPEPTIDES; QUANTUM THEORY; SOLVENTS; SULFUR COMPOUNDS; WATER ABSORPTION;

MOLECULES;

EID: 78649619475     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268976.2010.497779     Document Type: Conference Paper

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