Výsledky vyhledávání - "Hasan R. Obayes"

Akademický článek

Theoretical Study for the Preparation of Sub-Carbon Nano Tubes from the Cyclic Polymerization of Three Molecules from (Corannulene, Coronene and Circulene) Aromatic Compounds

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

Publikováno v: Engineering and Technology Journal, Vol 32, Iss 2B, Pp 238-250 (2014)

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 theoretically may achievable using the density function theor

Externí odkaz: https://doaj.org/article/da428d00224044da9d1e98f187c6b35f

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Akademický článek

Correlation of Total Cholesterol and Glucose in Serum of Iraqi Patients with Atherosclerosis and Diabetes Mellitus Type 2

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

Publikováno v: Engineering and Technology Journal, Vol 31, Iss 6 B, Pp 801-808 (2013)

Cholesterol is a fatty substance (lipid) classified as a waxy steroid of fat. It is absorbed by the intestine into blood stream and is packaged inside a protein coat a chylomicron. Blood glucose is a simple monosaccharide absorbed directly into the b

Externí odkaz: https://doaj.org/article/d7a68bfb21c24538b59164c78e405f5f

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Akademický článek

Theoretical Study for the Preparation of New Buckyballs from the Cyclic Dimerization Reaction of TwoMolecules Corannulene, Coronene and Circulene Aromatic Compounds

Autor: Hasan R. Obayes

Publikováno v: Engineering and Technology Journal, Vol 31, Iss 5 B, Pp 594-602 (2013)

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 fraction of nano-meter theoretically may achievable using the den

Externí odkaz: https://doaj.org/article/a7517ae85c204940ae4d9d8a6ff00324

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Akademický článek

Theoretical Study of Vibration Frequencies of Fullerene Molecule (C60) by Using Density Function Theory (DFT)

Autor: Hasan R. Obayes

Publikováno v: Engineering and Technology Journal, Vol 30, Iss 15, Pp 2694-2700 (2012)

Fullerene molecule C60 was studied optimize structure, harmonic vibration frequencies, infrared active vibration modes and some physical values in the gaseous state theoretically by using Density function Theory (DFT), from view animations of the mod

Externí odkaz: https://doaj.org/article/64f99537de2a48e4adfe795c1c46983c

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Akademický článek

Synthesis and Antioxidant Activities of Novel 5-Chlorocurcumin, Complemented by Semiempirical Calculations

Autor: Ahmed A. Al-Amiery, Abdul Amir H. Kadhum, Hasan R. Obayes, Abu Bakar Mohamad

Publikováno v: Bioinorganic Chemistry and Applications, Vol 2013 (2013)

The novel curcumin derivative (1E,4Z,6E)-5-chloro-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one (5-chlorocurcumin) was prepared from natural curcumin. The newly synthesised compound was characterised by spectral studies (IR, 1H NMR, and 1

Externí odkaz: https://doaj.org/article/82b3a102751040929013b1ba8e04b948

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Design of graphene and nanotubes from aromatic compounds: a theoretical study

Autor: Asaad Ali Lateef, Hasan R. Obayes

Publikováno v: Journal of Molecular Modeling. 28

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::111e00ba1b2b5371ea17e8f1387deee8
https://doi.org/10.1007/s00894-022-05322-5

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Capture carcinogenic aromatic compounds by the design of new tweezer compounds: a theoretical study

Autor: Ali Abdullah Issa, Hasan R. Obayes

Publikováno v: Journal of molecular modeling. 26(10)

Both [5]-circulene and [7]-circulene can be selected to design the molecular tweezers theoretically using the DFT method. Leaning on the cyclic polymerization mechanism, we obtain four new tweezer compounds. Theoretical results offer that tweezer com

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::54a57f31ae076a54437f88579e8da3b6
https://pubmed.ncbi.nlm.nih.gov/32995930

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Sulphonamides as corrosion inhibitor: Experimental and DFT studies

Autor: Hasan R. Obayes, Ahmed A. Al-Amiery, Thamer Adnan Abdullah, Abu Bakar Mohamad, Ghadah H. Alwan, Abdul Amir H. Kadhum

Publikováno v: Journal of Molecular Structure. 1138:27-34

Inhibitors are synthetic and natural molecules have various functional groups like double or triple bonds and heteroatoms; N, O or S, which permit adsorption onto the MS (metal surface). These inhibitors have the ability to adsorb onto the MS and blo

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::0011b5dabc35e4eccf4155dbf34ef551
https://doi.org/10.1016/j.molstruc.2017.02.100

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Theoretical Studies on Electrophilic Aromatic Substitution Reaction for 8-Hydroxyquinoline

Autor: Ghadah H. Alwan, Hasan R. Obayes, Shaymaa H. Khazaal, Ahmed A. Al-Amiery, Ali H. Al-Hamadani, Khalida Al.Azawi, Abdulnasser M. Al-Gebori

Publikováno v: Oriental Journal of Chemistry. 32:253-260

Theoretical investigations of organic molecules for the objective of their structural stability are the most important techniques in this regards. Recently calculations and simulation reactions utilizing theoretical studies become attractive conventi

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::081dd469c911d26a696a91ac82d74fa2
https://doi.org/10.13005/ojc/320127

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