Charge Transport in DNA - Insights from Simulations
Charge 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...
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| Format: | Electronic Book Chapter |
| Language: | English |
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KIT Scientific Publishing
2013
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| Subjects: | |
| Online Access: | DOAB: download the publication DOAB: description of the publication |
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| 020 | |a 9783731500827 | ||
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| 100 | 1 | |a Wolter, Mario |4 auth | |
| 245 | 1 | 0 | |a Charge Transport in DNA - Insights from Simulations |
| 260 | |b KIT Scientific Publishing |c 2013 | ||
| 300 | |a 1 electronic resource (VI, 139 p. p.) | ||
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| 506 | 0 | |a Open Access |2 star |f Unrestricted online access | |
| 520 | |a Charge 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. | ||
| 540 | |a Creative Commons |f https://creativecommons.org/licenses/by-sa/4.0/ |2 cc |4 https://creativecommons.org/licenses/by-sa/4.0/ | ||
| 546 | |a English | ||
| 650 | 7 | |a Chemistry |2 bicssc | |
| 653 | |a Charge Transfer | ||
| 653 | |a Molecular Dynamics | ||
| 653 | |a Charge Transport | ||
| 653 | |a Quantum Mechanics | ||
| 653 | |a DNA | ||
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| 856 | 4 | 0 | |a www.oapen.org |u https://directory.doabooks.org/handle/20.500.12854/43023 |7 0 |z DOAB: description of the publication |