DFT study on the standard electrode potentials of imidazole, tetrathiafulvalene, and tetrathiafulvalene-imidazole

Journal of Physical Chemistry B

Volumn 114, Issue 51, 2010, Pages 17092-17101

  Tugsuz, Tugba ^a  

^a HACETTEPE UNIVERSITY   (Turkey)

Author keywords

[No Author keywords available]

Indexed keywords

ACETONITRILE; DENSITY FUNCTIONAL THEORY; GIBBS FREE ENERGY; ORGANIC SOLVENTS;

BASIS SETS; DFT CALCULATION; DFT STUDY; DICATIONS; FREQUENCY CALCULATIONS; H-BONDED; HYBRID DENSITY; IMAGINARY FREQUENCY; NEUTRAL STRUCTURES; ONE-ELECTRON OXIDATION; PROTONATED; SOLVATION MODELS; STANDARD ELECTRODE POTENTIAL; TETRATHIAFULVALENES; TWO-ELECTRON OXIDATION;

STANDARDS;

EID: 84856757832     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp106705d     Document Type: Article

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