Interstrand Charge Transport within Metallo-DNA: The Effect Due to Hg(II): The Ag(I)-Mediated Base Pairs
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68407700%3A21230%2F20%3A00341603" target="_blank" >RIV/68407700:21230/20:00341603 - isvavai.cz</a>
Result on the web
<a href="https://doi.org/10.1021/acs.jpcc.9b12020" target="_blank" >https://doi.org/10.1021/acs.jpcc.9b12020</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1021/acs.jpcc.9b12020" target="_blank" >10.1021/acs.jpcc.9b12020</a>
Alternative languages
Result language
angličtina
Original language name
Interstrand Charge Transport within Metallo-DNA: The Effect Due to Hg(II): The Ag(I)-Mediated Base Pairs
Original language description
Metallo-DNA is considered promising in regard to functional molecular electronic elements. From this perspective, the longitudinal charge transport within metallo-DNA is usually studied. By contrast, this work was aimed at the transversal conductance of metalloDNA, particularly at the effect of Hg and Ag metals on the conductance of base pairs. The charge transport through metal-mediated base pairs involving Hg(II) and Ag(I) metals, deoxythymidine (T) and 4- deoxythiothymidine (Ts), was studied by means of density functional theory (DFT) calculations employing the non-equilibrium
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
20501 - Materials engineering
Result continuities
Project
—
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2020
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Journal of Physical Chemistry C
ISSN
1932-7447
e-ISSN
1932-7455
Volume of the periodical
124
Issue of the periodical within the volume
13
Country of publishing house
US - UNITED STATES
Number of pages
10
Pages from-to
7477-7486
UT code for WoS article
000526328500052
EID of the result in the Scopus database
2-s2.0-85083742873