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Mechanical conductance tunability of a porphyrin–cyclophane single-molecule junction
(Royal Soc Chemistry, England, 2022)
The possibility to study quantum interference phenomena at ambient conditions is an appealing feature
of molecular electronics. By connecting two porphyrins in a cofacial cyclophane, we create an attractive
platform for ...
Localization of a spin-orbit-coupled Bose-Einstein condensate in a bichromatic optical lattice
(2014-06-03)
We study the localization of a noninteracting and weakly interacting Bose-Einstein condensate (BEC) with spin-orbit coupling loaded in a quasiperiodic bichromatic optical lattice potential using the numerical solution and ...
Band shift in chromium(III) complexes with mixed ligands: molecular orbital approach
(Pergamon Press, 1969)
The shift of the first and second spin allowed bands due to the stepwise replacement of the nitrogen atoms in a complex of Cr(III) of the CrN6 type of oxigen atoms of water or of carboxylic groups is analized in terms of ...
Band shift in chromium (III) complexes with mixed ligands. A molecular orbital approach
(1969)
The shift of the first and second spin allowed bands due to the stepwise replacement of the nitrogen atoms in a complex of Cr(III) of the CrN6 type by oxygen atoms of water or of carboxylic groups is analyzed in terms of ...
An improved two-parameter omega technique (itpot) for molecular orbital calculatlons
(Universidad Nacional de Colombia, 1983)
Bond lengths are calculated for tweive aromatic hydrocarbons by way of the ITPOT and a modified Coulson's equatlon. Comparlsons are made with respect to other theoretlcal results as well as with avallable experimental data. ...
Bridge effect of the C=N bond and long distance electronic effects of electron-donor (D) substituents on N-(4-D-benzylidene)-4-nitroanilines and N-(4-nitrobenzylidene)-4-D-aniline
(2002)
By means of 13C-NMR spectroscopy and ab initio molecular orbital theory calculations we have analyzed the bridge effect of the C=N bond and the long distance electronic effect of the electron-donor substituents (D: -NO2, ...
Measuring Quantum Capacitance in Energetically Addressable Molecular Layers
(Amer Chemical Soc, 2014-02-04)
The Fermi level or electrochemical signature of a molecular film containing accessible orbital states is ultimately governed by two measurable series energetic components, an energy loss term related to the charging of ...
Semiclassical approximations in phase space with coherent states
(Iop Publishing LtdBristolInglaterra, 2001)