B3LYP, BLYP and PBE DFT band structures of the nucleotide base stacks

International Journal of Quantum Chemistry

Volumn 102, Issue 4, 2005, Pages 422-426

  Szekeres, Zs ^a,b   Bogar F ^a,c   Ladik, J ^a  

^a UNIVERSITY OF ERLANGEN NUREMBERG   (Germany)

^b EÖTVÖS LORÁND UNIVERSITY   (Hungary)

^c UNIVERSITY OF SZEGED   (Hungary)

Author keywords

B3LYP; Band structures; BLYP; DFT; Nucleotide base stacks; PBE

Indexed keywords

BAND STRUCTURE; CELLS; DNA; ELECTRIC INSULATORS; ELECTRODES; ELECTRON TRANSPORT PROPERTIES; PROBABILITY DENSITY FUNCTION; PROTEINS; SUPERCONDUCTING MATERIALS;

B3LYP; BAND STRUCTURES; BASE STACKS; BLYP; DENSITY FUNCTIONAL THEORY (DFT); NUCLEOTIDES; PBE;

CRYSTAL STRUCTURE;

EID: 17644366148     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.20394     Document Type: Article

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