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The effect of symmetry of a molecule electronic density on the dipole moment of unit cell and hole conductivity of thin polycrystalline films of anthrone and anthraquinone.
(Wydawnictwo Politechniki ŁódzkiejLodz University of Technology. Press, 2016)
The electronic structure of anthrone and anthraquinone molecules in the gas state and in the simulated crystal unit cell were calculated with time dependent-density functional theory (TD-DFT) method. The values of dipole ...
Polarization of organic aromatic molecule in anionic and cationic state
(Lodz University of Technology PressWydawnictwo Politechniki Łódzkiej, 2019)
The modification of electron states and the change in the geometry of the structure of molecule during hopping transport of charge carriers depends on the symmetry of the molecule. During electric transport the ...