Solvation of ferrocene, cobaltocene, and their ions by the data of quantum-chemical calculations

Russian Journal of Electrochemistry

Volumn 45, Issue 1, 2009, Pages 87-92

  Kuznetsov, An M ^a   Maslii, A N ^a   Krishtalik, L I ^b  

^a KAZAN NATIONAL RESEARCH TECHNOLOGICAL UNIVERSITY   (Russian Federation)

^b FRUMKIN INSTITUTE OF PHYSICAL CHEMISTRY AND ELECTROCHEMISTRY   (Russian Federation)

Author keywords

B3LYP method; Cobaltocene; Dimethylsulfoxide; Electrode potentials; Ferrocene; PCM model; Redox processes; Solvation; Transfer energy

Indexed keywords

ACETONE; ACETONITRILE; CONTINUUM MECHANICS; DISSOLUTION; IONIZATION OF LIQUIDS; IRON COMPOUNDS; METHANOL; ORGANIC SOLVENTS; ORGANOMETALLICS; PULSE CODE MODULATION; QUANTUM CHEMISTRY; SOLVATION; SOLVENTS; STRUCTURAL OPTIMIZATION;

B3LYP METHOD; COBALTOCENE; DIMETHYLSULFOXIDE; ELECTRODE POTENTIALS; FERROCENE; PCM MODEL; REDOX PROCESSES; TRANSFER ENERGY;

AROMATIC HYDROCARBONS;

EID: 84962449968     PISSN: 10231935     EISSN: 16083342     Source Type: Journal    
DOI: 10.1134/S1023193509010121     Document Type: Article

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