Constrained variation calculations of electron-transfer transition states using the Lagrange method

Electrochemical and Solid-State Letters

Volumn 6, Issue 10, 2003, Pages

  Kostadinov, Lubomir N ^a,b   Anderson, Alfred B ^a  

^a CASE WESTERN RESERVE UNIVERSITY   (United States)

^b INSTITUTE OF PHYSICAL CHEMISTRY   (Bulgaria)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ENERGY; CALCULATIONS; CHARGE TRANSFER; CHEMICAL BONDS; ELECTRODES; ELECTRON TRANSITIONS; IONIZATION; REACTION KINETICS; REDOX REACTIONS; THERMAL EFFECTS; THERMODYNAMICS;

ELECTRODE POTENTIAL; ELECTRON TRANSFER ACTIVATION INTERNAL ENERGIES; ELECTRON TRANSFER TRANSITION STATES; LAGRANGE METHOD; LOCAL REACTION CENTER MODELS;

ELECTRON ENERGY LEVELS;

EID: 1842832935     PISSN: 10990062     EISSN: None     Source Type: Journal    
DOI: 10.1149/1.1607571     Document Type: Article

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