| 1. |
- Ma, Y., et al.
(författare)
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Theoretical studies on electronic transport properties of six-membered heterocyclic molecules
- 2006
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Ingår i: Wuli xuebao. - 1000-3290. ; 55:4, s. 1974-1978
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Tidskriftsartikel (refereegranskat)abstract
- By applying the elastic scattering Green's function theory in combination with the hybrid density function theory, the electronic transport properties of molecular junctions constructed by the six-membered heterocyclic molecules, pyridazine-2, 5-dithiol, pyrazine-2, 5-dithiol, and pyrimidine-2, 5-dithiol, have been studied. For the heterocyclic molecule pyridine, the influence of the terminal atoms on the current-voltage characteristics has also been obtained. We have accurately determined the coupling constant between the molecule and electrodes by using the frontier molecular orbital theory and the perturbation method. The numerical results show that pyridazine-2,5-dithiol has higher current and conductance, while the conductance of pyrimidine-2, 5-dithiol is very small when the bias voltage is lower than 4V. The conductivity of the molecule pyridine with selenium atom as the terminal atom is higher than that with oxygen atom or sulfur atom.
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| 2. |
- Wang, S. Y., et al.
(författare)
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High-spin level scheme of Cs-126
- 2004
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Ingår i: Gaoneng wuli yu he wuli. - 0254-3052. ; 28:5, s. 491-494
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Tidskriftsartikel (refereegranskat)abstract
- High-spin states of Cs-126 have been populated via the Cd-116(N-14, 4n) Cs-126 reaction. The experiment was performed at Niels Bohr Institute in Denmark in 1991. After careful data analysis, most of the previously-known bands have been pushed up to much higher spins and 3 new rotational sequences have been identified. Spin, parity and configuration assignments are tentatively proposed for all of the observed bands.
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