The role of molecular conformation and polarizable embedding for one- and two-photon absorption of disperse orange 3 in solution

Journal of Physical Chemistry B

Volumn 116, Issue 28, 2012, Pages 8169-8181

  Silva, Daniel L ^a   Murugan, N Arul ^b   Kongsted, Jacob ^c   Rinkevicius, Zilvinas ^b   Canuto, Sylvio ^a   Gren, Hans ^b  

^a UNIVERSITY OF SÃO PAULO   (Brazil)

^b ROYAL INSTITUTE OF TECHNOLOGY   (Sweden)

^c UNIVERSITY OF SOUTHERN DENMARK   (Denmark)

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION SPECTROSCOPY; DIMETHYL SULFOXIDE; LIGHT ABSORPTION; LUMINESCENCE OF ORGANIC SOLIDS; MOLECULAR DYNAMICS; ORGANIC SOLVENTS; SOLVENTS; TWO PHOTON PROCESSES;

CLASSICAL MOLECULAR DYNAMICS; CONFORMATIONAL CHANGE; ELECTRONIC TRANSITION; EMPIRICAL PARAMETERS; ENERGY TRANSITIONS; EXCHANGE-CORRELATION FUNCTIONALS; LINE SHAPE; LINEAR ABSORPTION SPECTRA; LINEAR RESPONSE; MOLECULAR CONFORMATION; MOLECULAR DYNAMICS SIMULATIONS; QM/MM MD SIMULATIONS; QUADRATIC RESPONSE; QUANTUM REGION; RESPONSE THEORY; SHORT-RANGE REPULSION; SOLVATOCHROMIC SHIFTS; SOLVENT EFFECTS; TWO-PHOTON ABSORPTIONS; VISIBLE SPECTRAL REGIONS;

CHROMOPHORES;

EID: 84864050473     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp3032034     Document Type: Article

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