4 publications
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Lambda Doubling Calculation of Carbon Monoxide C12O16 MoleculeBy Dhia Hamdi Al-Amiedy
Abstract: The theoretical emission spectrum of C12O16 molecule, calculation of lambda doubling, the relation between wavenumbers R(J), Q(J), P(J) and rotational state energies F(J), F(J + 1) with rotational quantum number J respectively have been investigated for A1
Published in Emerging Trends in Chemical Engineering · Vol. 2, Issue 2, 2015 · pp. 25–31 Read article →
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Calculating the Normalized Absorption Population and Maximium Quantum Number of Electronic States of Isotopic B11H1 AND B11H2 of Boron Hydride MoleculesBy Dhia Hamdi Al-Amiedy
Abstract: A calculation has been carried out for the theoretical calculation of some of the spectroscopic properties of isotopic B11H1 and B11H2 Boron Hydride molecules, such as the population of the absorption spectrum of electronic transitions X, A and B as a function of the temperature in the range from 50 to 500 K, and values of J in the range of 0 to 20. It was found that the values …
Published in Emerging Trends in Chemical Engineering · Vol. 2, Issue 3, 2015 · pp. 42–49 Read article →
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Spin-Orbit Coupling, Spin-Spin, and Electric Properties of Hydrogen Fluoride Molecule (HF), Hydrogen Chloride Molecule (HCL) and Hydrogen Bromide MoleculeBy Dhia Hamdi Al-Amiedy
Abstract: Reviews of the study of the spin-orbit coupling, spin-spin, electronic structure and number electric properties has been carried out such as ionization potential (IP), electron affinity (EA), electronegativity (x), hardness( ), softness (S), and electrophilic (W) of hydrogen fluoride, hydrogen chloride (HCl) and hydrogen bromide (HBr) molecules by using Gaussian program 09 and Gauss view 5.08 program using density function (DFT) method B3LYP/6-311G (d,p). It was found that the values …
Published in Emerging Trends in Chemical Engineering · Vol. 2, Issue 3, 2015 · pp. 1–3 Read article →
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Theoretical Study of Substituent Effects on Electronic Properties and Polarizability for (2, 5, 24, 27-Tetrahalogen Pentacene) MoleculeBy Dhia Hamdi Al-Amiedy, Rajaa Khedir Al-Yasari
Abstract: DFT and semi empirical methods have been carried out studying (2, 5, 24, 27 tetrahalogen pentacen) molecules using the B3LYP functional and the 6-311G (d, p) basis set and AM1 model. Total energy, electronic properties such as; ionization potential, electron affinity, energy gap, dipole moment, polarizability and electronic potential. The calculated ionization potential (6.126 eV) and electron affinity (1.417 eV) of this molecule is in a good agreement with experimental …
Published in Emerging Trends in Chemical Engineering · Vol. 3, Issue 1, 2016 · pp. 1–8 Read article →