Preferred Language
Articles
/
EhaAoooBVTCNdQwCqqI0
Predicting a New Δ‐Proton Sponge‐Base of 4,12‐Dihydrogen‐4,8,12‐triazatriangulene through Proton Affinity, Aromatic Stabilization Energy, and Aromatic Magnetism
...Show More Authors
Abstract<p>Herein, we report designing a new Δ (delta‐shaped) proton sponge base of 4,12‐dihydrogen‐4,8,12‐triazatriangulene (compound <bold>1</bold>) and calculating its proton affinity (<italic>PA</italic>), aromatic stabilization, natural bond orbital (NBO), electron density <italic>ρ</italic>(r), Laplacian of electron density ∇<sup>2</sup><italic>ρ</italic>(r), (2D‐3D) multidimensional <italic>off</italic>‐nucleus magnetic shielding (<italic>σ</italic><sub>zz</sub>(r) and <italic>σ</italic><sub>iso</sub>(r)), and scanning nucleus‐independent chemical shift (NICS<sub>zz</sub> and NICS). Density functional theory (DFT) at B3LYP/6‐311+G(d,p), ωB97XD/6‐311+G(d,p), and PW91/def2TZVP were used to compute the magnetic shielding variables. In addition, relevant bases like pyridine, quinoline, and acridine were also studied and compared. The protonation of compound <bold>1</bold> yields a highly symmetric carbocation of three Hückel benzenic rings. Comparing our findings of the studied molecules showed that compound <bold>1</bold> precedes others in <italic>PA</italic>, aromatic isomerization stabilization energy, and basicity. Therefore, the basicity may be enhanced when a conjugate acid gains higher aromatic features than its unprotonated base. Both multidimensional <italic>σ</italic><sub>zz</sub>(r) and <italic>σ</italic><sub>iso</sub>(r) <italic>off</italic>‐nucleus magnetic shieldings outperformed electron‐based techniques and can visually monitor changes in aromaticity that occur by protonation. The B3LYP/6‐311+G(d,p), ωB97XD/6‐311+G(d,p), and PW91/def2TZVP levels showed no significant differences in detailing isochemical shielding surfaces.</p>
Scopus Clarivate Crossref
View Publication
Publication Date
Tue Jan 01 2019
Journal Name
Journal Of Cosmetics, Dermatological Sciences And Applications
A New Regimen in the Treatment of Psoriasis Using Oral Methotrexate
...Show More Authors

View Publication
Crossref
Publication Date
Fri Mar 01 2024
Journal Name
Baghdad Science Journal
Preparing a New Type of Concrete Based on Sulfur-melamine Modifier
...Show More Authors

In this research work, a new type of concrete based on sulfur-melamine modification was introduced, and its various properties were studied. This new type of concrete was prepared based on the sulfur-melamine modification and various ingredients. The new sulfur-melamine modifier was fabricated, and its fabrication was confirmed by IR spectroscopy and TG analysis. The surface morphology resulted from this modifier was studied by SEM and EDS analysis. The components ratios in concrete, chemical and physical characteristics resulted from sulfur-melamine modifier, chemical and corrosion resistance of concrete, stability of concrete against water adsorption, stability of concrete against freezing, physical and mechanical properties and durabi

... Show More
View Publication Preview PDF
Scopus (3)
Crossref (1)
Scopus Crossref
Publication Date
Fri Jul 01 2011
Journal Name
Bulletin Of The Iraq Natural History Museum (p-issn: 1017-8678 , E-issn: 2311-9799)
A NEW SPECIES OF RHYNCOMYAROB.-DESVOIDY, 1830 (DIPTERA : CALLIPHORIDAE) FROM IRAQ
...Show More Authors

This research includes a detaile description of new species Rhyncomya irakensis sp. nov.
from Iraq.
Localities distribution, host plants and data of collection were recorded.

View Publication Preview PDF
Publication Date
Tue Jul 01 2008
Journal Name
Bulletin Of The Iraq Natural History Museum (p-issn: 1017-8678 , E-issn: 2311-9799)
A NEW SPECIES OF COSMINA ROB.-DESVOIDY, 1830 IRAQ (DIPTERA : CALLIPHORIDAE)
...Show More Authors

This study includes a detailed morphological description of Cosmina baghdadensis sp. nov.
from Iraq.
Many characters are used in identification especially chaetotaxy and male genetalia.
Locality, host plant, and data of collection were given.

View Publication Preview PDF
Publication Date
Wed Dec 30 2009
Journal Name
Iraqi Journal Of Physics
Resonance Tunneling Through GaN/AlGaN Superlattice System
...Show More Authors

The purpose of our work is to report a theoretical study of electrons tunneling through semiconductor superlattice (SSL). The (SSL) that we have considered is (GaN/AlGaN) system within the energy range of ε < Vo, ε = Vo and ε > Vo, where Vo is the potential barrier height. The transmission coefficient (TN) was determined using the transfer matrix method. The resonant energies are obtained from the T (E) relation. From such system, we obtained two allowed quasi-levels energy bands for ε < VO and one band for ε  VO.

View Publication Preview PDF
Publication Date
Fri Jan 01 2021
Journal Name
International Journal Of Agricultural And Statistical Sciences
CUSTOM ANALYSIS THROUGH Nth ORDER GAUSSIAN NOISE
...Show More Authors

Scopus
Publication Date
Thu Jan 01 2009
Journal Name
Iraqi Journal Of Physics
Resonance Tunneling Through GaN/AlGaN Superlattice System
...Show More Authors

The purpose of our work is to report a theoretical study of electrons tunneling through semiconductor superlattice (SSL). The (SSL) that we have considered is (GaN/AlGaN) system within the energy range of ε < Vo, ε = Vo and ε > Vo, where Vo is the potential barrier height. The transmission coefficient (TN) was determined using the transfer matrix method. The resonant energies are obtained from the T (E) relation. From such system, we obtained two allowed quasi-levels energy bands for ε < VO and one band for ε  VO.

View Publication Preview PDF
Publication Date
Tue Sep 08 2015
Journal Name
International Journal Of Advanced Multidisciplinary Research
Machinery Unit Energy Requirement and Fuel Consumption Tractor in Operation Tillage
...Show More Authors

The study was carried out at field agriculture in Baghdad–Iraq in 2015. For purpose evaluated the performance the selected implements tillage, suitable tire pressure and speed tractor under silt clay loam to measured Effective field capacity, Actual Time for plowing One Donam ( hr), Appearance Tillage ( number of clods > 10 cm), Fuel consumption measure in two unit (L/Donam and L/hr) and Machinery Unit Energy Requirement ( kw.hr / Donam). Split – split plot design under randomized complete block design with three replications using Least Significant Design 5 % was used. Three factor used in this experiment included Two types of plows included Chisel and Disk plows which represented main plot, Three Tires Inflation Pressure was second fa

... Show More
Publication Date
Wed Nov 05 2014
Journal Name
International Journal Of Applied Mathematical Research
Approximate solution of a model describing biological species living together using a new iterative method
...Show More Authors

View Publication
Crossref (2)
Crossref
Publication Date
Thu Jun 25 2020
Journal Name
Aip Conference Proceedings
Improving efficiency of solar cell for MnS through annealing
...Show More Authors