The electron correlation for inter-shells (1s 2p), (1s 3p) and (1s 3d) was described by the inter-particle radial distribution function f(r12). It was evaluated for Li-atom in the different excited states (1s2 2p), (1s2 3p) and (1s2 3d) using Hartree-Fock approximation (HF). The inter particle expectation values for these shells were also evaluated. The calculations were performed using Mathcad 14 program.
Coherent density fluctuation model (CDFM) has been used to calculate the
proton momentum distributions (PMD) and elastic electron scattering form factors,
F(q), of the ground state for some even mass nuclei of fp-shell, such as 52Cr, 58Fe and
64Ni nuclei. Both of the PMD and F(q) have been expressed in terms of the weight
function ( ( ) )
2
f x which is determined by means of the charge density
distributions (CDD) of the nuclei and determined from theory and experiment. The
feature of the long-tail behavior at high momentum region of the PMD’s has been
obtained by both the theoretical and experimental weight functions. The calculated
form factors of these nuclei are in reasonable agreement with those of th
A method was developed that offers a rapid, simple and accurate technique for the determination of chlorophenols at trace levels in aqueous samples with very limited volumes of organic solvents. These compounds were acetylated, then preliminarily extracted with n-hexane. The enriched chlorophenols were directly analyzed using gas chromatography with an electron-capture detector. The detection limits were in the range of 0.001–0.005 mg/L, except for 2-chlorophenol, which was always above 0.013 mg/L. Relative standard deviation for the spiked water samples ranged from 2.2 to 6.1%, while relative recoveries were in the range of 67.1 to 101.3%.
The analysis of survival and reliability considered of topics and methods of vital statistics at the present time because of their importance in the various demographical, medical, industrial and engineering fields. This research focused generate random data for samples from the probability distribution Generalized Gamma: GG, known as: "Inverse Transformation" Method: ITM, which includes the distribution cycle integration function incomplete Gamma integration making it more difficult classical estimation so will be the need to illustration to the method of numerical approximation and then appreciation of the function of survival function. It was estimated survival function by simulation the way "Monte Carlo". The Entropy method used for the
... Show MoreTotal Electron Content measurements derived from Athens station ionograms (ITEC),
located near Iraq, during the ascending phase of solar cycle 24 (July 2009- April 2010),
according to availability of data, are compared with the latest version of the International
Reference Ionosphere model, IRI-2012 (IRI TEC), using two options (NeQuick, IRI01-
Corr) for topside electron density.
The results obtained from both (ITEC and IRI TEC) techniques were similar, where
correlation coefficients between them are very high. Generally, the IRI predictions
overestimate the ITEC values.
Aromaticity reversals between the electronic ground (S0) and low-lying singlet (S1, S2) and triplet (T1, T2, T3) states of naphthalene and anthracene are investigated by calculating the respective off-nucleus isotropic magnetic shielding distributions using complete-active-space self-consistent field (CASSCF) wavefunctions involving gauge-including atomic orbitals (GIAOs). The shielding distributions around the aromatic S0, antiaromatic S1 (1Lb), and aromatic S2 (1La) states in naphthalene are found to resemble the outcomes of fusing together the respective S0, S1, and S2 shielding distributions of two benzene rings. In anthracene, 1La is lower in energy than 1Lb, and as a result, the S1 state becomes aromatic, and the S2 state becomes anti
... Show MoreElectron transfer (ET) reactions represent an elementary chemical process which occurs in a large variety of molecules, ranging from small ion pairs up to large biological system. A theoretical study of photo – induced electron transfer between Ruthenium (II) tirs -( 2,2 ï‚¢- bipyrdine ) Ru(bpy)  2 3 and Methyl Viologen MV2+ in a variety of Solvents at room temperature is presented . This study is based on an optical activation by the absorption of light .The Solvent is described by a dielectric continuum model, and the transferring is represented by a quantum mechanical wave function . In this application, the reorganization energy ï¬ , the driving free energy ï¯ Gï
... Show MoreTheoretical investigation of proton halo-nucleus (8B and 17Ne) has revealed that the valence protons are to be in pure (1p1/2)1 orbit for 8B and (1d3/2)2 orbit for 17Ne. The nuclear matter density distributions, the elastic electron scattering form factors and (proton, charge, neutron and matter) root-mean square (rms) are studied for our tested nuclei, through an effective two-body density operator for point nucleon system folded with two-body full correlation operator's functions. The full correlation (FC's ) takes account of the effect for the strong short range repulsion (SRC's) and the strong tensor force (TC's) in
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