Revisiting the solvation enthalpies and free energies of the proton and electron in various solvents

Computational and Theoretical Chemistry

Volumn 1077, Issue , 2016, Pages 11-17

  Markovic Z ^a   Tosovic J ^b   Milenkovic D ^c   Markovic S ^b  

^a STATE UNIVERSITY OF NOVI PAZAR   (Serbia)

^b UNIVERSITY OF KRAGUJEVAC   (Serbia)

^c Bioengineering Research and Development Center   (Serbia)

Author keywords

Ab initio and DFT methods; SMD solvation method; Solvated proton and electron; Solvation enthalpy and Gibbs energy

Indexed keywords

EID: 84958594812     PISSN: 2210271X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.comptc.2015.09.007     Document Type: Article

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