Electron charge transfer in linear and cyclic structures of polypeptides

Journal of Computational and Theoretical Nanoscience

Volumn 5, Issue 11, 2008, Pages 2264-2268

  Santhanamoorthi, N ^a   Kolandaivel, P ^a   Renugopalakrishnan, V ^b   Ramakrishna, Seeram ^c  

^a BHARATHIAR UNIVERSITY   (India)

^b BOSTON CHILDREN S HOSPITAL   (United States)

^c NATIONAL UNIVERSITY OF SINGAPORE   (Singapore)

Author keywords

Charge transfer; Electronic coupling matrix; Polypeptides; Site energy

Indexed keywords

AMINES; CHEMICAL BONDS; DENSITY FUNCTIONAL THEORY; ION EXCHANGE; MASS TRANSFER; MOLECULAR ORBITALS; POLYPEPTIDES; QUANTUM CHEMISTRY; SULFUR COMPOUNDS; TERNARY SYSTEMS; WAVE FUNCTIONS;

CONDUCTIVITY PROPERTIES; CYCLIC STRUCTURES; ELECTRON CHARGE TRANSFERS; ELECTRONIC COUPLING MATRIX; GEOMETRY OPTIMIZATIONS; HAMILTONIAN APPROACHES; INTRAMOLECULAR CHARGE TRANSFERS; INTRAMOLECULAR INTERACTIONS; NEGATIVE CHARGES; PEPTIDE BONDS; SITE-ENERGY; SPATIAL OVERLAPS; TIGHT BINDINGS; TRANSFER INTEGRALS;

CHARGE TRANSFER;

EID: 57649196569     PISSN: 15461955     EISSN: None     Source Type: Journal    
DOI: 10.1166/jctn.2008.1131     Document Type: Article

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