The electronic conductance at zero temperature through a quantum wire with side-connected asymmetric quantum ring (as a scatter system) is theoretically studied using the non-interacting Hamiltonian Anderson tunneling method. In this paper we concentrate on the configuration of the quantum dot rings. We show that the asymmetric structure of QD-scatter system strongly influences the amplitude an...

The electronic conductance at zero temperature through a quantum wire with side-connected asymmetric quantum ring (as a scatter system) is theoretically studied using the non-interacting Hamiltonian Anderson tunneling method. In this paper we concentrate on the configuration of the quantum dot rings. We show that the asymmetric structure of QD-scatter system strongly influences the amplitude an...

the electronic conductance at zero temperature through a quantum wire with side-connected asymmetric quantum ring (as a scatter system) is theoretically studied using the non-interacting hamiltonian anderson tunneling method. in this paper we concentrate on the configuration of the quantum dot rings. we show that the asymmetric structure of qd-scatter system strongly influences the amplitude an...

Quantum chemical (MNDo)caleulations have beenused toelucidate the molecular properties and structure - activity relationships of dihydropyridine (DHP) type calcium antagonists. There is a good corielation between the net atomic charges on various atoms of the 4 - phenyl ring of dihydropyridines and pharmacological activity. .Also, activity decreases with increasing free rotation of the phen...

in this paper, we study the plasmonic thermal conductance of ordered stacks of metallic nanorings in a host material. using second quantized formalism of the random phase approximation, we first determine the dispersion relations of surface plasmon waves on the stacks of nanorings. then, using landauer-buttiker formalism, we determine the coefficient of plasmonic thermal conductance and heat cu...

to determine the non-bonded interaction energies between naphthalene and b12n12 nano ring in different orientations and distances, geometry of molecules with b3lyp method and 6-31g* basis set optimized. also reactivity and stability of naphthalene alone and in the presence b12n12 nano ring checked. then calculated the nbo, nmr, freq, nics and muliken charge of naphthalene atoms alone and in the...

Conformations and electronic properties of a series of imidazobenzodiazepines are investigated by AM1 semi-empirical quantum mechanics method. It is shown that substitution of Cl in position 7 instead of 8, changes the geometry of the seven membered lactam ring; this may put the N5 nitrogen in a better positon to act as a hydrogen bond acceptor, and the phenyl ring in position 6 is probably...

conformations and electronic properties of a series of imidazobenzodiazepines are investigated by am1 semi-empirical quantum mechanics method. it is shown that substitution of cl in position 7 instead of 8, changes the geometry of the seven membered lactam ring; this may put the n5 nitrogen in a better positon to act as a hydrogen bond acceptor, and the phenyl ring in position 6 is probably mor...

In this study, B12N12 Nano ring has been selected because it consist of four 6-side rings and polar bonds B-N which in comparison with non-polar bonds C-C, is more suitable for the study of the absorption of other compounds. So reactivity and stability of Benzene alone and in the presence B12N12 nano ring field checked. To determine the non-bonded interaction energies between Benzene and B12N12...