Engineering and Technology Journal

Keywords = DFT

Number of Articles: 6
Design of Nano-Inhibitor of Dichlorobenzene and It's Adduct and Study of Its Structural and Electronic Properties: DFT Calculations
Design of Nano-Inhibitor of Dichlorobenzene and It's Adduct and Study of Its Structural and Electronic Properties: DFT Calculations

A.D. Thamir; A.S. Hasan; A.L. Abed; F.Q. Mohammed

Volume 35, 8A , August 2017, , Page 795-800

https://doi.org/10.30684/etj.35.8A.2

Abstract
  Corrosion in oil pipelines is one of the biggest problems in the oil sector companies because of the high cost resulted from repairing the corroded parts, or replace it with another ...  Read More ...
Preparation, Full Characterization and Theoretical Studies for New Herniarin derivatives
Preparation, Full Characterization and Theoretical Studies for New Herniarin derivatives

K.F. AL-Azawi

Volume 35, 1B , January 2017, , Page 29-32

https://doi.org/10.30684/etj.35.1B.6

Abstract
  Novel Herniarin compounds were prepared and identified by UV–VIS, FTIR, NMR spectra. Theoretical Studies and molecular structure with optimized geometry were done by utilizing ...  Read More ...
Theoretical Study of Reactions with Electrophones Substitutions: by B3lyp-Dft Density Function Calculation
Theoretical Study of Reactions with Electrophones Substitutions: by B3lyp-Dft Density Function Calculation

Rashed Taleb Rasheed; Hadeel Salah Mansoor; Aseel Salah Mansoor; Emad A. Yousif

Volume 32, 5B , May 2014, , Page 990-997

https://doi.org/10.30684/etj.32.5B.15

Abstract
  Density functional theory (DFT), using the B3LYP functional was utilized to study the molecular properties (benzene molecule was a reference) of 1,3,5-Trihydroxybenzene (THB) compound ...  Read More ...
Theoretical Study for the Preparation of Sub-Carbon Nano Tubes from the Cyclic Polymerization of Three Molecules from (Corannulene, Coronene and Circulene) Aromatic Compounds
Theoretical Study for the Preparation of Sub-Carbon Nano Tubes from the Cyclic Polymerization of Three Molecules from (Corannulene, Coronene and Circulene) Aromatic Compounds

Hasan R. Obayes; Ghadah H. Alwan; Abdulnasser M. AL-Gebori; Samah S. Adeeb; Rashed Taleb Rasheed; Nidal Al Derzi; Abbas A. Mohammed

Volume 32, 2B , January 2014, , Page 238-250

https://doi.org/10.30684/etj.32.2B.6

Abstract
  Corannulene, coronene and circulene are polycyclic aromatic hydrocarbons (PAHs) compounds were chosen to study the preparation of carbon tubes with diameters smaller fraction of nano-meter ...  Read More ...
Theoretical Study for the Preparation of New Buckyballs from the Cyclic Dimerization Reaction of TwoMolecules Corannulene, Coronene and Circulene Aromatic Compounds
Theoretical Study for the Preparation of New Buckyballs from the Cyclic Dimerization Reaction of TwoMolecules Corannulene, Coronene and Circulene Aromatic Compounds

Hasan R. Obayes

Volume 31, 5 B , May 2013, , Page 594-602

https://doi.org/10.30684/etj.31.5B.3

Abstract
  Corannulene, coronene and circulene are polycyclic aromatic hydrocarbons (PAHs) compounds were chosen in this research to study the preparation of new buckyballs with diameters smaller ...  Read More ...
Hybrid Information Hiding Technique Using Parametric Spline and DFT
Hybrid Information Hiding Technique Using Parametric Spline and DFT

Hanaa M; Hala Bahjat Abdul Wahab; Abdul Monem S. Rahma

Volume 28, Issue 4 , February 2010, , Page 827-835

https://doi.org/10.30684/etj.28.4.16

Abstract
  Information hiding is a means to conical and transmitting information usingapparently innocent carrier without depiction any suspicions. This paper presents anew means for information ...  Read More ...