Effect of hydration on electrical conductivity of DNA duplex: Green's function study combined with DFT

Computational Materials Science

Volumn 53, Issue 1, 2012, Pages 314-320

  Maeda, Yaku ^a   Okamoto, Akisumi ^a   Hoshiba, Yasuhiro ^a   Tsukamoto, Takayuki ^a   Ishikawa, Yasuyuki ^b   Kurita, Noriyuki ^a  

^a TOYOHASHI UNIVERSITY OF TECHNOLOGY   (Japan)

^b UNIVERSITY OF PUERTO RICO   (Puerto Rico)

Author keywords

Au electrodes; DFT; DNA duplex; Electrical conductivity; Green's function theory; Hydration

Indexed keywords

AU ELECTRODES; BASE SEQUENCES; DFT; DNA DUPLEX; DNA DUPLEXES; ELECTRICAL CONDUCTING PROPERTIES; ELECTRICAL CONDUCTIVITY; HYDRATING WATER MOLECULES; MOLECULAR SIMULATIONS; NON EQUILIBRIUM GREEN'S FUNCTION METHOD; THERMAL FLUCTUATIONS;

DENSITY FUNCTIONAL THEORY; ELECTRIC CONDUCTIVITY; ELECTRODES; GREEN'S FUNCTION; HYDRATION;

DNA;

EID: 80054747570     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2011.09.020     Document Type: Article

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