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bsj-2760
Density functional theory study of molecular structure, Electronic properties, UV–Vis spectra on coumarin102.
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The various properties of the ground and excited electronic states of coumarins 102 using density functional theory (DFT) and time-dependent density functional theory (TDDFT) was calculated by the B3LYP density functional model with 6-31G(d,p) basis set by Gaussian 09 W program. Spectral characteristics of coumarin102 have been probed into by methods of experimental UV-visible, and quantum chemistry. The UV spectrum was measured in methanol. The optimized structures, total energies, electronic states (HOMO- LUMO), energy gap, ionization potentials, electron affinities, chemical potential, global hardness, softness, global electrophilictity, and dipole moment were measured. We find good agreement between experimental data of UV spectrum and TDDFT excitationenergies.

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Publication Date
Wed Apr 25 2018
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Different Estimation Methods for System Reliability Multi-Components model: Exponentiated Weibull Distribution
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        In this paper, estimation of system reliability of the multi-components in stress-strength model R(s,k) is considered, when the stress and strength are independent random variables and follows the Exponentiated Weibull Distribution (EWD) with known first shape parameter θ and, the second shape parameter α is unknown using different estimation methods. Comparisons among the proposed estimators through  Monte Carlo simulation technique were made depend on mean squared error (MSE)  criteria

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Publication Date
Sat Oct 01 2016
Journal Name
Journal Of Theoretical And Applied Information Technology
Factors affecting global virtual teams’ performance in software projects
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