<?xml version="1.0" encoding="UTF-8"?><xml><records><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Simserides, C.</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">A systematic study of electron or hole transfer along DNA dimers, trimers and polymers</style></title><secondary-title><style face="normal" font="default" size="100%">Chemical Physics</style></secondary-title></titles><dates><year><style  face="normal" font="default" size="100%">2014</style></year></dates><urls><web-urls><url><style face="normal" font="default" size="100%">https://www.sciencedirect.com/science/article/pii/S0301010414001645?via%3Dihub</style></url></web-urls></urls><volume><style face="normal" font="default" size="100%">440</style></volume><pages><style face="normal" font="default" size="100%">31-41</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">A systematic study of carrier transfer along DNA dimers, trimers and polymers including poly(dG)-poly(dC), poly(dA)-poly(dT), GCGCGC..., ATATAT... is presented allowing to determine the spatiotemporal evolution of electrons or holes along a N base-pair DNA segment. Physical quantities are defined including maximum transfer percentage &lt;em&gt;p&lt;/em&gt; and pure maximum transfer rate &lt;em&gt;p&lt;/em&gt;/&lt;em&gt;T&lt;/em&gt; when a period &lt;em&gt;T&lt;/em&gt; is defined; pure mean transfer rate &lt;em&gt;k&lt;/em&gt; and speed &lt;em&gt;u&lt;/em&gt;=&lt;em&gt;kd&lt;/em&gt;, where &lt;em&gt;d&lt;/em&gt; is the charge transfer distance. The inverse decay length &lt;em&gt;β&lt;/em&gt; for the exponential fit &lt;em&gt;k&lt;/em&gt;=&lt;em&gt;k&lt;/em&gt;&lt;sub&gt;0&lt;/sub&gt;exp(-&lt;em&gt;βd&lt;/em&gt;) and the exponent &lt;em&gt;η&lt;/em&gt; for the power-law fit &lt;em&gt;k&lt;/em&gt;=&lt;em&gt;k&lt;/em&gt;&lt;sub&gt;0′&lt;/sub&gt;&lt;em&gt;N&lt;/em&gt;&lt;sup&gt;-&lt;em&gt;η&lt;/em&gt;&lt;/sup&gt; are computed. &lt;em&gt;β&lt;/em&gt;≈0.2-2 Å&lt;sup&gt;-1&lt;/sup&gt;, &lt;em&gt;k&lt;/em&gt;&lt;sub&gt;0&lt;/sub&gt; is usually 10&lt;sup&gt;-2&lt;/sup&gt;-10&lt;sup&gt;-1&lt;/sup&gt; PHz, generally ≈10&lt;sup&gt;-4&lt;/sup&gt;-10 PHz. &lt;em&gt;η&lt;/em&gt;≈1.7-17, &lt;em&gt;k&lt;/em&gt;&lt;sub&gt;0′&lt;/sub&gt; is usually 10&lt;sup&gt;-2&lt;/sup&gt;-10&lt;sup&gt;-1&lt;/sup&gt; PHz, generally ≈10&lt;sup&gt;-4&lt;/sup&gt;-10 &lt;sup&gt;3&lt;/sup&gt; PHz. The results are compared with theoretical and experimental works. This method allows to assess the extent at which a specific DNA segment can serve for charge transfer.</style></abstract><notes><style face="normal" font="default" size="100%">cited By 25</style></notes></record></records></xml>