Charge transport through biomolecular wires in a solvent: Bridging molecular dynamics and model hamiltonian approaches

Physical Review Letters

Volumn 102, Issue 20, 2009, Pages

  Gutierrez R ^a   Caetano, R A ^a,b   Woiczikowski, B P ^c   Kubar, T ^c   Elstner, M ^c   Cuniberti, G ^a  

^a DRESDEN UNIVERSITY OF TECHNOLOGY   (Germany)

^b FEDERAL UNIVERSITY OF ALAGOAS   (Brazil)

^c TECHNICAL UNIVERSITY OF BRAUNSCHWEIG   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

BIO-MOLECULAR; BIOMOLECULAR ELECTRONICS; CHARGE TRANSPORT; CLASSICAL MOLECULAR DYNAMICS; CONFORMATIONAL DYNAMICS; CONFORMATIONAL FLUCTUATIONS; DENSITY FUNCTIONAL; DNA OLIGOMERS; HYBRID METHOD; LOW-DIMENSIONAL MODELS; MODEL HAMILTONIANS; MOLECULAR DYNAMICS TRAJECTORIES; QUANTUM-CHEMICAL CALCULATION; TIGHT-BINDING CALCULATIONS; VARIABLE LENGTH;

CONFORMATIONS; DNA; ELECTRONIC STRUCTURE; GENES; HAMILTONIANS; MEATS; MODEL STRUCTURES; MOLECULAR DYNAMICS; NUCLEIC ACIDS; OLIGOMERS; QUANTUM CHEMISTRY; SOLVENTS; WIRE;

DYNAMICS;

EID: 66049155393     PISSN: 00319007     EISSN: 10797114     Source Type: Journal    
DOI: 10.1103/PhysRevLett.102.208102     Document Type: Article

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