We point out and simulate the possible utility of anti-coherence in molecular electronics. In ballistic transfer through a molecule with a large loop that fulfils a certain phase condition on the loop structure, the transfer would be anticoherent. By applying one or two control voltages to the molecule, that modify the relative phase through the two parts of the loop, the transfer could be cont...

The explanation of the dielectric dynamics in methanol would offer knowledge of the Debye relaxation in supercooled monoalcohols. However, due to the fast crystallization, it is hard to attain the dynamics of pure methanol in the deeply supercooled region. In this paper, we studied the dynamics of methanol – 2-ethyl-1-hexanol mixtures with methanol concentration up to 80 mol% using dielectric a...

in the present study an alternative model allows the extension of the debye-hückel theory (dht) considering time dependence explicitly. from the electro-quasistatic approach (eqs) done in earlier studies time dependent potentials are suitable to describe several phenomena especially conducting media as well as the behaviour of charged particles in arbitrary solutions acting as electrolytes.this...

In the past several years a wide variety of molecules has been studied by means of the extended Htickel theory, which explicitly includes all overlaps between atomic orbitals and systematic guesses for the elements of the Hamiltonian matrix.1 These studies, in spite of their very approximate nature, have yielded a wealth of chemical information in terms of eigenvalues and eigenvectors: charge d...

we have investigated the electronic structure and thermodynamic properties of supercell of the
-al2o3 by first-principles calculation in framework of density functional theory (dft) and full potential linearized augmented plane wave (fp-lapw) with generalized gradient approximation (gga) and by quasi-harmonic debye model. our calculated value for direct band gap of α-al2o3 is 7.2 ev which is v...

The floating potential of an emissive cylindrical probe in a plasma is calculated for an arbitrary ratio of Debye length to probe radius and for an arbitrary ion composition. In their motion to the probe the ions are assumed to be collisionless. For a small Debye length, a two-scale analysis for the quasineutral plasma and for the sheath provides analytical expressions for the emitted and colle...