für Naturforschung in cooperation with the Max Planck Society for the Advancement of Science under a Creative Commons Attribution 4.0 International License. Dieses Werk wurde im Jahr 2013 vom Verlag Zeitschrift für Naturforschung in Zusammenarbeit mit der Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. digitalisiert und unter folgender Lizenz veröffentlicht: Creative Commons Namen...

matrix analysis of corrosion inhibition phenomena (macip), in which an inhibitor isconsidered as a point in a multi-dimensional virtual efficiency space, was performed on somepyridine derivatives. the needed molecular parameters such as homo and lumo energylevels, charge densities on hetero atom, dipole moment, heat of formation, and total energyvalues were obtained by means of semi-empirical q...

The Ruedenberg type formula relating the total molecular energy to the sum of orbital energies is examined by using SCC-MO and ab initio D Z M O eigenvalues. Comparison with rigorous ab initio D Z energy expectation values indicates that Ruedenberg 's formula in its original form can not provide semiquantitative information on molecular energetics. Much more promissing in this respect is the el...

The lifetime of the b Pu(v51) state in N2 has been determined experimentally using a laser-based pump–probe scheme and an exceptionally long lifetime of 2.61 ns was found. Semiempirical close-coupling calculations of the radiative lifetime, which include Rydberg–valence interactions in the singlet manifold, are consistent with this large value, giving a value of 3.61 ns and suggesting a prediss...

Theoretical relative ages of galactic globular clusters have recently been challenged by a semi-empirical relation. It was used to point out that tested sets of isochrones were unable to reproduce the relation and yield internally inconsistent relative ages. We find that differential cluster ages derived with the isochrones by Salaris & Weiss (1998) are reliable and internally consistent. We al...

The rotational barrier about the C S bond in fluorocarbonylsulfenyl chloride [FC(0)SC1] is investigated using the C N D O method. The results confirm the existence of planar eis and trans conformers and the higher stability of the latter, as suggested by previous vibrational results. The valence force constants in FC(0)SC1 were also calculated and the values obtained compare favourably with res...

für Naturforschung in cooperation with the Max Planck Society for the Advancement of Science under a Creative Commons Attribution 4.0 International License. Dieses Werk wurde im Jahr 2013 vom Verlag Zeitschrift für Naturforschung in Zusammenarbeit mit der Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. digitalisiert und unter folgender Lizenz veröffentlicht: Creative Commons Namen...

We determine theoretically the relation between the total number of protons Np and the mass number A (the charge to mass ratio) of nuclei and neutron cores with the model recently proposed by Ruffini et al. (2007) and we compare it with other Np versus A relations: the empirical one, related to the Periodic Table, and the semi-empirical relation, obtained by minimizing the Weizsäcker mass formu...