Solvent effect on the UV/Vis absorption spectra in aqueous solution: The nonequilibrium polarization with an explicit representation of the solvent environment

Computational and Theoretical Chemistry

Volumn 971, Issue 1-3, 2011, Pages 65-72

  Li, Yun Kui ^a   Wu, Han Yu ^a   Zhu, Quan ^a   Fu, Ke Xiang ^a   Li, Xiang Yuan ^a  

^a SICHUAN UNIVERSITY   (China)

Author keywords

Constrained equilibrium approach; Formaldehyde; Nonequilibrium polarization; Solvation model; Solvatochromic shift; Solvent effect

Indexed keywords

EID: 84962339683     PISSN: 2210271X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.comptc.2011.06.003     Document Type: Article

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