Zobrazeno 1 - 10
of 23
pro vyhledávání: '"Habib El Alaoui El Abdallaoui"'
Publikováno v:
Heliyon, Vol 4, Iss 2 (2018)
The mechanism nature of the intramolecular Diels–Alder reaction has been performed; and thus, the changes of C—C bond forming/breaking along IRC are characterized in this study. Conceptual DFT analyses of the most favorable adduct fused/exo shows
Externí odkaz:
https://doaj.org/article/6981220a8f7441819ee4b7d3b3d8be7c
Autor:
Soukaina Ameur, Ali Barhoumi, Mar Ríos-Gutiérrez, Anas Ouled Aitouna, Habib El Alaoui El Abdallaoui, Noureddine Mazoir, Mohammed Elalaoui Belghiti, Asad Syed, Abdellah Zeroual, Luis R. Domingo
Publikováno v:
Chemistry of Heterocyclic Compounds. 59:165-170
Autor:
Driss Ouzebla, Najia Ourhriss, Olatomide A. Fadare, M. E. Belghiti, Habib El Alaoui El Abdallaoui, Abdellah Zeroual
Publikováno v:
Chemistry Africa. 6:881-890
Publikováno v:
Journal of Bio- and Tribo-Corrosion. 9
Autor:
Zenab Ouahdi, Najia Ourhriss, Anas Ouald Aitouna, Ali Barhoumi, Mohammed Elalaoui Belghiti, Amine Moubarik, Habib El Alaoui El Abdallaoui, Mohammed El Idrissi, Abdellah Zeroual
Publikováno v:
Theoretical Chemistry Accounts. 141
Autor:
Zineb Ouahdi, NAJIA Ourhriss, Anas Ouled Aytouna, Ali Barhoumi, Mohammed elalaoui Belghiti, Amine Moubarik, Habib El Alaoui El Abdallaoui, Mohammed El idrissi, Abdellah Zeroual
The cycloaddition reaction between hydroxyparthenolide and nitrilimine has been investigated in molecular electron density theory (MEDT) at the B3LYP/6-31(d) computational level. The reaction paths including the six cycloaduit were explored. The DFT
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7ceec59373a85a3601da19842fe545d9
https://doi.org/10.21203/rs.3.rs-1338725/v1
https://doi.org/10.21203/rs.3.rs-1338725/v1
Publikováno v:
Chemistry Africa. 3:99-109
Isothiocyanates (ITCs) was recognized as anticancer properties, few attempts that were performed to prepare this product through exploiting the relative sensitivity of 1,4,2-oxathiazole derivative utilizing fragmentation process, for which some perti
Autor:
Abdessamad Tounsi, Said Bayadi, Matine Abdelmalek, El Mokhtar El Ouardi, Ali Barhoumi, A. Zeroual, Mohammed Salah, Mohammed El Idrissi, Habib El Alaoui El Abdallaoui
The adsorption of azelaic acid dihydrazide as an environmentally friendly mild steel corrosion inhibitor on the iron surface was modelled in this study. We used density functional theory (DFT) calculations and Monte Carlo (MC) and Molecular dynamics
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::31f0bd85e686c83175c7dad58752906d
https://doi.org/10.21203/rs.3.rs-834089/v1
https://doi.org/10.21203/rs.3.rs-834089/v1
Autor:
Mohammed Salah, Said Byadi, Ali Barhoumi, Mohammed El Idrissi, Habib El Alaoui El Abdallaoui, Abdellah Zeroual, Matine Abdelmalek, El Mokhtar El Ouardi, Abdessamad Tounsi
Publikováno v:
Journal of molecular modelingReferences. 27(11)
The adsorption of azelaic acid dihydrazide as an environmentally friendly mild steel corrosion inhibitor on the iron surface was modeled in this study. We used density functional theory (DFT) calculations and Monte Carlo (MC) and molecular dynamics (
Publikováno v:
Journal of Fluorine Chemistry. 219:79-91
The goal of the present study is to make a comprehension of the connection between selectivity and polarity, in that fact this reaction process was studied in presence of toluene, THF and DMSO solvent through Molecular Electron Density Theory (MEDT)