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', the delocalized electronic states are re-grouped in energy space to 'shells' according to allowed energy levels and the symmetry and shape of the atomic arrangement. This re-grouping generates also an energy gap ...
interact with Ag(100) conduction electrons, forming hybrid molecule‐surface orbitals with enhanced spatial extension. Then, these delocalized molecule‐surface states further hybridize with those ...
Electronic conductance through a single molecule is sensitive to its structural orientation between two electrodes, owing to the distribution of molecular orbitals and their coupling to the electrode ...
Abstract: Electronic conductance through a single molecule is sensitive towards its structural orientation between two electrodes, owing to the distribution of molecular orbitals and their coupling ...
a1 and b1 symmetry . Evidence for the more delocalized character of (3d9x2-y2) L(b1) states versus the more localized character of (3d3z2-r2) L(a1) states has been found. ...
as well as the delocalization of charge carriers within their structures were analyzed using conductance ‐voltage curves, which showed that these materials are excellent candidates for integrated ...
in the molecular and organic solid states. Also, the nanochainsexhibit magnetic splitting (Slater-like), even without the symmetry breaking, sincethe spinspin correlations extend over the whole system. Thus ...
‐thione (DTT). Differences and similarities of the spectra in terms of molecular symmetry and electron density are also discussed. Copyright © 2010 John Wiley & Sons, Ltd. Introduction Organometallic ...
electronic hybridization process. First, LUMOs interact with Ag(100) conduction electrons, forming hybrid molecule-surface orbitals with enhanced spatial extension. Then, these delocalized molecule-surface ...
-principles calculation. The bottom of the Papers conduction band (BCB) is found to be constituted of a pseudo-band of molecular orbitals that resonate at the same energy on different atomic sites. They display ...
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