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A molecule wired: E...
A molecule wired: Electrostatic investigation
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Hansen, Thorsten (författare)
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- Pedersen, Thomas (författare)
- Lund University,Lunds universitet,Beräkningskemi,Enheten för fysikalisk och teoretisk kemi,Kemiska institutionen,Institutioner vid LTH,Lunds Tekniska Högskola,Computational Chemistry,Physical and theoretical chemistry,Department of Chemistry,Departments at LTH,Faculty of Engineering, LTH
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Mikkelsen, Kurt V (författare)
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(creator_code:org_t)
- Elsevier BV, 2005
- 2005
- Engelska.
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Ingår i: Chemical Physics Letters. - : Elsevier BV. - 0009-2614. ; 405:1-3, s. 118-122
- Relaterad länk:
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http://dx.doi.org/10...
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Abstract
Ämnesord
Stäng
- We present calculations of ground state and excitation energies for ethene between metal electrodes. The model determines the effects of the electrodes by incorporating a heterogeneous and structured solvation model with the quantum mechanical description of the molecular system. The effects of the electrodes are of electrostatic origin and an external bias can be applied enabling a close connection to the actual physical process related to the measurements of charge transport in molecules located between electrodes.
Ämnesord
- NATURVETENSKAP -- Kemi -- Teoretisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Theoretical Chemistry (hsv//eng)
Publikations- och innehållstyp
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- ref (ämneskategori)
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