Preferred Language
Articles
/
ijs-6125
IR Spectra of Entrance and Exit Channels of Methane Molecule and Oxygen Atom Reaction at MP2 Theory
...Show More Authors

     IR spectra of entrance and exit channels of methane and radical oxygen reaction are predicted in the ground state energy. Ab initio calculations at perturbation theory (MP2) with Dunning correction- consistent basis set (aug-cc-pVDZ) have been used. The calculations predicted structures, vibrational frequencies and potential energy surface. Three van der Waals minima from three adiabatic potential energy surfaces have been predicted in entrance and exit channels. Vibration frequency of 3209 cm-1 and 3212 cm-1 of C-H stretching in entrance structures are predicted while O-H vibrational frequency is predicted to be at 3673 cm-1 in the other channel. The lowest energy structure in entrance channel has - 0.18 kJ/ mol minimum energy.

Scopus Crossref
View Publication Preview PDF
Quick Preview PDF
Publication Date
Mon Jan 01 2018
Journal Name
Organic & Biomolecular Chemistry
Small-molecule anticancer agents kill cancer cells by harnessing reactive oxygen species in an iron-dependent manner
...Show More Authors

In the course of generating a library of open-chain epothilones, we discovered a new class of small molecule anticancer agents that has no effect on tubulin but instead kills selected cancer cell lines by harnessing reactive oxygen species in an iron-dependent manner.

View Publication
Scopus (10)
Crossref (11)
Scopus Clarivate Crossref
Publication Date
Wed Mar 01 2023
Journal Name
Iraqi Journal Of Physics
Evaluation of Resonance Strengths and Reaction Rates of 22Ne (p, gamma) 23Na Nuclear Reaction at Thermonuclear Energies
...Show More Authors

At thermal energies near stellar conditions, nuclear reactions are sensitive to resonance strengths of the nuclear reaction cross-section. In this paper, the resonance strengths of  nuclear reaction were evaluated numerically by means of nuclear reaction rate calculations using a written Matlab code, at the energies of interest in stellar nuclear reactions. The results were compared with standard reaction before and after application of a statistical analyses, to select the best parameters that made theoretical results as close as possible to the standard values. Fitting was made for different temperature ranges up to 10 GK, 0.6 GK and 0.25 GK. The evaluated results showed that as the temperature range becomes narrower, more error is ad

... Show More
View Publication Preview PDF
Crossref
Publication Date
Sun Sep 30 2001
Journal Name
Iraqi Journal Of Chemical And Petroleum Engineering
Determination of Corrosion Parameters for a Cathodic Reaction Complicated by IR Drop Effect in a Flow System
...Show More Authors

View Publication Preview PDF
Publication Date
Thu Mar 26 2009
Journal Name
Iraq Journal For Science
Calculation of time Entry and Exit of satellites from Earth Shadow
...Show More Authors

The tracking of satellites motion and their path around the earth is important things in the mechanical of satellites motion. Significant parameters for the determination of time entrance and existence of the satellite could be obtained from the shadow of the earth. In the present work the tracking and time determination for entry and exit from earth shadow have been studied. In the present work we built a software for tracking the motion of satellites in orbit around the earth and determine the change of both distance and speed as a function of time. The perturbations effect on the satellite has been neglected from the earth atmosphere drag and the earth gravity and other effects. The equation for calculating the shadow is solved using num

... Show More
Publication Date
Sat Jan 01 2022
Journal Name
Technologies And Materials For Renewable Energy, Environment And Sustainability: Tmrees21gr
Theoretical investigation of charge transfer at N3 sensitized molecule dye contact with TiO2 and ZnO semiconductor
...Show More Authors

(3) (PDF) Theoretical investigation of charge transfer at N3 sensitized molecule dye contact with TiO2 and ZnO semiconductor. Available from: https://www.researchgate.net/publication/362773606_Theoretical_investigation_of_charge_transfer_at_N3_sensitized_molecule_dye_contact_with_TiO2_and_ZnO_semiconductor [accessed May 01 2023].

View Publication
Crossref
Publication Date
Sat Jan 01 2022
Journal Name
Proceeding Of The 1st International Conference On Advanced Research In Pure And Applied Science (icarpas2021): Third Annual Conference Of Al-muthanna University/college Of Science
Theoretical study and calculation of electronic current flow at platinum metal contact with TFP molecule systems
...Show More Authors

View Publication
Crossref (1)
Crossref
Publication Date
Sat Jan 01 2022
Journal Name
Technologies And Materials For Renewable Energy, Environment And Sustainability: Tmrees21gr
Theoretical investigation of charge transfer at N3 sensitized molecule dye contact with TiO2 and ZnO semiconductor
...Show More Authors

We present a simple model of charge transfer current through sensitizer N3 molecule contact to TiO2 and ZnO semiconductors to calculate the charge transfer current. The model underlying depends on the fundamental parameters of the charge transfer reaction and it is based on the quantum transition theory approach. A transition energy, driving energy and potential barrier have been taken into account charge transfer current at N3 / TiO2 and N3 / ZnO devices with wide polarity solvents Acetic acid, 2-Methoxyethanol, 1-Butanol, Methyl alcohol, chloroform, N,N-Dimethylacetamide and Ethyl alcohol via the quantum donor-acceptor system.The effects of the transition energy and potential barrier are computed and discussion on charge transfer current.

... Show More
View Publication Preview PDF
Scopus Crossref
Publication Date
Thu Sep 30 2004
Journal Name
Iraqi Journal Of Chemical And Petroleum Engineering
Adsorption of Hydrogen and Methane as Single Gases on Activated Carbon
...Show More Authors

View Publication Preview PDF
Publication Date
Wed Mar 28 2018
Journal Name
Iraqi Journal Of Science
Entrance Surface Dose for patient`s undergoing X-ray examinations at Sebha medical center "Libya"
...Show More Authors

Diagnostic X-ray is one of the ionizing radiation that plays an important role in medical examination. Despite its great benefit, it is considered the largest source of artificial radiation exposure to public. The aim of the study is to measure the entrance surface dose (ESD) of patients undergoing chest, lumber spine and knee X-ray examination using TLD-100. The mean Entrance surface dose of chest (PA), lumber spine (AP, LAT) and knee (AP, LAT) are 1.3mGy, 8.57mGy, 21.5mGy and 0.49mGy, 0.48mGy respectively. The ESDs measured were found to be higher than the published work.

View Publication Preview PDF
Publication Date
Sun Jan 01 2023
Journal Name
Technologies And Materials For Renewable Energy, Environment And Sustainability: Tmrees22fr
Theoretical insights into the study of the electronic transition reaction process from D35CPDT molecule dye to SnO2 semiconductor
...Show More Authors

View Publication
Crossref