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CHARGE TRANSFER COMPLEXES --- SILICON COMPOUNDS --- CHARGE TRANSFER COMPLEXES --- SILICON COMPOUNDS
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Proteins. --- Charge transfer in biology. --- Bioelectrochemistry.
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DNA. --- Charge transfer. --- ADN --- Transfert de charge --- Charge transfer --- Electron Transport
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Charge transfer --- Charge transfer in biology. --- Transfert de charge --- Transfert de charge en biologie
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Energy transfer --- Charge transfer --- Molecules --- Quantum chemistry --- Molecular dynamics
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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.
Charge Transfer --- Molecular Dynamics --- Charge Transport --- Quantum Mechanics --- DNA
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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.
Charge Transfer --- Molecular Dynamics --- Charge Transport --- Quantum Mechanics --- DNA
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