Zobrazeno 1 - 10
of 22
pro vyhledávání: '"Hamid I. Abbood"'
Publikováno v:
Journal of Kufa-Physics, Vol 8, Iss 2 (2016)
Present study concerns on the effect of B/P compound on the electrical properties of the pure graphene sheet. The calculations are including the electrical conductivity, thermal conductivity, I-V characteristic and transmission coefficient. These cal
Externí odkaz:
https://doaj.org/article/70bac68df76a4e4b8266f9d5f0cfc546
Autor:
Ali S. Hasan, Hamid I. Abbood
Publikováno v:
Journal of Kufa-Physics, Vol 8, Iss 1 (2016)
We investigated the electrical properties of Graphene Sheet by employing the B3LYP/DFT at SIESTA – trunk - 462 of program, and calculated by employing the LDA calculations using the Gollum software . We showed that the studied Graphene Sheet has sm
Externí odkaz:
https://doaj.org/article/a339062e329342d98b2e3c85a4b6c32a
Publikováno v:
Journal of Kufa-Physics, Vol 8, Iss 1 (2016)
Present study deals with the electronic properties of donor-bridge-acceptor(D-B-A) molecular systems. By employing the density functional theory, the calculations were carried out to analyze the applications of oligophenylene-pyridene OPE-PY-based st
Externí odkaz:
https://doaj.org/article/7be44fcda2a141be94f5e5e892ec9a61
Publikováno v:
NeuroQuantology. 19:77-81
Current study deals with electronic properties and absorption spectrum calculations for a single molecule. The calculations were done based on the theory of density function DF. Our result showed the large basis sets 6-31G (d, P) with functional B3LY
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::090ba53bb83022d6ad864ddbb85b6a2c
https://doi.org/10.14704/nq.2021.19.10.nq21160
https://doi.org/10.14704/nq.2021.19.10.nq21160
Publikováno v:
Materials Science Forum. 1039:391-397
In the current study, the density function theory (DFT) is used to investigate the chemical adsorption strength of NO2 gas molecule. The relaxation structure, molecular orbital energy, energy gap and adsorption energy are calculated at ground state.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::6d8bf3ebac738ae888f78a277fce2b71
https://doi.org/10.4028/www.scientific.net/msf.1039.391
https://doi.org/10.4028/www.scientific.net/msf.1039.391
Autor:
Ali S. Hasan, Hamid I. Abbood, Raheem G. Kadhim, Amin D. Thamira Thamira, Watheq G. Bakheet Bakheet
Publikováno v:
Journal of Petroleum Research and Studies. 8:25-40
One of the most important uses of carbon nanotubes (CNTs) as a nanosensor for variouspolluted gases resulting from the burning of petroleum derivatives containing sulfur compoundsor extracted from the gases associated with petroleum, which are isolat
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f071b63cf80b43d9d3897e69f89fa8ec
https://doi.org/10.52716/jprs.v8i3.228
https://doi.org/10.52716/jprs.v8i3.228
Publikováno v:
NeuroQuantology. 18:33-39
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ed4758a8820256be81afa01a3ecf8e6a
https://doi.org/10.14704/nq.2020.18.8.nq20202
https://doi.org/10.14704/nq.2020.18.8.nq20202
Exchange-correlation functional B3LYP with standard 6-31G basis sets was carried out for DFT calculations of pure zigzag GNR and two of donor-GNR-acceptor structures. The results showed good relax was obtained for studied structures. Pure zigzag GNR
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5a2357caed36afec2e65124c6ec35a88
https://doi.org/10.21203/rs.3.rs-617647/v1
https://doi.org/10.21203/rs.3.rs-617647/v1
Autor:
Noor Al-Huda Al-Aaraji, Mohammed Ali Yaseen, Hussien A. Madlol, Hamid I. Abbood, Hayder M. Abduljalil, Mohammed A. Al-Seady, Eman Ahmed
Publikováno v:
IOP Conference Series: Earth and Environmental Science. 1088:012013
In the present study, the density function theory (DFT) method was used to compute structural, electronic and spectroscopic properties for pure and aluminum (Al) doped graphene materials, 6-13G basis set and hybrid function B3LYP were used in the pre
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::6aa25ec08031c1dd1e12dc6198aa5a7e
https://doi.org/10.1088/1755-1315/1088/1/012013
https://doi.org/10.1088/1755-1315/1088/1/012013
Publikováno v:
Materials Today: Proceedings.
In this theoretical analysis, the B3LYP-DFT approach was combined with the Stuttgart Dresden Triple Zeta ECPs (SDD) basis sets to looked at the electronic structures of oxaliplatinum and some suggested oxaliplatinum metal complexes are Bipyridine-oxa
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::dfc79b6b3175f6fbc336c6a71efc94d4
https://doi.org/10.1016/j.matpr.2021.05.349
https://doi.org/10.1016/j.matpr.2021.05.349