Quantum mechanical investigation of the inner-sphere reorganization energy of cyclooctatetraene/cyclooctatetraene radical anion. Part I

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 57, Issue 10, 2001, Pages 1959-1969

  Kelterer, Anne Marie ^a   Landgraf, Stephan ^a   Grampp, Günter ^a  

^a GRAZ UNIVERSITY OF TECHNOLOGY   (Austria)

Author keywords

ab initio; Density functional; Electron self exchange; Marcus theory; Semiempirical

Indexed keywords

FREE RADICALS; MATRIX ALGEBRA; ORGANIC COMPOUNDS; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY;

ELECTRON SELF-EXCHANGE; FORCE CONSTANTS; MARCUS THEORY;

NEGATIVE IONS;

ANION; HYDROCARBON;

ARTICLE; BIOPHYSICS; CHEMICAL STRUCTURE; CHEMISTRY; PROTEIN CONFORMATION; THEORETICAL MODEL; THERMODYNAMICS; TIME;

ANIONS; BIOPHYSICS; HYDROCARBONS, CYCLIC; MODELS, MOLECULAR; MODELS, THEORETICAL; PROTEIN CONFORMATION; THERMODYNAMICS; TIME FACTORS;

EID: 0035450864     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1386-1425(01)00481-4     Document Type: Article

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