LEADER 01569nam  2200373z- 450 
001 9910346861203321
005 20210211
035   $a(CKB)4920000000101904
035   $a(oapen)https://directory.doabooks.org/handle/20.500.12854/43023
035   $a(oapen)doab43023
035   $a(EXLCZ)994920000000101904
100   $a20202102d2013      |y         0
101 0 $aeng
135   $aurmn|---annan
181   $ctxt$2rdacontent
182   $cc$2rdamedia
183   $acr$2rdacarrier
200 00$aCharge Transport in DNA - Insights from Simulations
210   $cKIT Scientific Publishing$d2013
215   $a1 online resource (VI, 139 p. p.)
311 08$a3-7315-0082-5 
330   $aCharge transport and charge transfer (CT) capabilities of deoxyribonucleic acid (DNA) are investigated. A QM/MM multi-scale framework is applied to calculate the CT capabilities of DNA under conditions resembling the experimental setup. The simulations are able to explain and predict the outcome of experiments and therefore make suggestions in advance. Based on the findings, suitable DNA sequences can be opted for the design of DNA-based devices as nano-scale electronic elements.
606   $aChemistry$2bicssc
610   $aCharge Transfer
610   $aCharge Transport
610   $aDNA
610   $aMolecular Dynamics
610   $aQuantum Mechanics
615  7$aChemistry
700   $aWolter$b Mario$4auth$01302943
906   $aBOOK
912   $a9910346861203321
996   $aCharge Transport in DNA - Insights from Simulations$93026754
997   $aUNINA