Effects of molecular dynamics and solvation on the electronic structure of molecular probes

Theoretical Chemistry Accounts

Volumn 131, Issue 4, 2012, Pages 1-12

  Caruso, Pasquale ^a   Causà, Mauro ^b   Cimino, Paola ^c   Crescenzi, Orlando ^b   D'Amore, Maddalena ^b   Improta, Roberto ^d   Pavone, Michele ^b   Rega, Nadia ^b  

^a ISTITUTO ITALIANO DI TECNOLOGIA   (Italy)

^b UNIVERSITY OF NAPLES FEDERICO II   (Italy)

^c UNIVERSITY OF SALERNO   (Italy)

^d CNR   (Italy)

Author keywords

Absorption spectra; Adenine; Dynamics; Electron density analysis; EPR spectra; Nitroxides; Quantum mechanical calculations; Solution

Indexed keywords

EID: 84860332862     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-012-1211-1     Document Type: Article

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