The complexation energy of the one-electron oxidized guanine-cytosine base pair and its parent system with small cations. A DFT-study

Journal of Molecular Structure: THEOCHEM

Volumn 635, Issue 1-3, 2003, Pages 133-139

  Reynisson, Jóhannes ^a,b   Steenken, Steen ^a  

^a MAX PLANCK INSTITUTE FOR CHEMICAL ENERGY CONVERSION   (Germany)

^b INSTITUTE OF CANCER RESEARCH   (United Kingdom)

Author keywords

Base pair complexes; Complexation energy; Density functional theory; Guanine radical; Ionization potentials

Indexed keywords

BERYLLIUM; CYTOSINE; GUANINE; HYDROGEN; LITHIUM; MAGNESIUM; SODIUM ION;

ARTICLE; ATOMIC PARTICLE; BASE PAIRING; CATION TRANSPORT; COMPLEX FORMATION; DENSITY FUNCTIONAL THEORY; ELECTRON TRANSPORT; ENERGY; HYDRATION; HYDROGEN BOND; MOLECULAR INTERACTION; OXIDATION KINETICS; PRODUCT RECOVERY; SURFACE CHARGE; THEORETICAL MODEL;

EID: 0042378293     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(03)00411-1     Document Type: Article

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