1887
banner image
No data available.
Please log in to see this content.
You have no subscription access to this content.
No metrics data to plot.
The attempt to load metrics for this article has failed.
The attempt to plot a graph for these metrics has failed.
Stability of the valence anion of cytosine is governed by nucleobases sequence in the double stranded DNA -stack: A computational study
Rent:
Rent this article for
USD
10.1063/1.3204939
/content/aip/journal/jcp/131/8/10.1063/1.3204939
http://aip.metastore.ingenta.com/content/aip/journal/jcp/131/8/10.1063/1.3204939

Figures

Image of FIG. 1.
FIG. 1.

Electron attachment to the middle cytosine involved in the CCC duplex of B-DNA configuration.

Image of FIG. 2.
FIG. 2.

Thermodynamic cycle used to calculate the EA of a model trimer . An excess electron is attached to the middle cytosine. -sum of pairwise interaction in the neutral trimer; -sum of pairwise interaction in the anionic trimer.

Tables

Generic image for table
Table I.

Two-body stabilization energies : corrected for BSSE and corrected for BSSE and extrapolated to the basis set limit of dimers comprising the middle cytosine in the neutral and anionic CCC and GCG duplexes; the difference between the respective two-body energies of the anionic and neutral trimer is indicated by ; , , and stand for calculated in terms of , , and , respectively. All values are given in eV. The “WC,” “IS,” and “S” symbols used in the names of dimers stand for the Watson–Crick H-bonded GC dimer, interstrand, and intrastrand -stacked dimers, respectively (for dimer structures, see Fig. 1).

Generic image for table
Table II.

EA of the middle C for 16 possible double-stranded trimers. All values are given in eV.

Loading

Article metrics loading...

/content/aip/journal/jcp/131/8/10.1063/1.3204939
2009-08-26
2014-04-18
Loading

Full text loading...

This is a required field
Please enter a valid email address
752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Stability of the valence anion of cytosine is governed by nucleobases sequence in the double stranded DNA π-stack: A computational study
http://aip.metastore.ingenta.com/content/aip/journal/jcp/131/8/10.1063/1.3204939
10.1063/1.3204939
SEARCH_EXPAND_ITEM