日期:
2020 年 — 2026 年
2020
2021
2022
2023
2024
2025
2026
影响因子:

Interactions of hypervalent IF(5) and XeF(4)O molecules via σ-hole site with Lewis bases and anions: a comparative ab initio study

高价 IF(5) 和 XeF(4)O 分子通过 σ 空穴位点与路易斯碱和阴离子的相互作用:一项比较从头算研究

Ibrahim, Mahmoud A A; Mahmoud, Asmaa M M; Saeed, Rehab R A; Shehata, Mohammed N I; Shoeib, Tamer; Al-Fahemi, Jabir H

On the performance of pure and group 2B transition metal-doped metal oxide nanocages as single-atom catalysts for the hydrogen storage process: a DFT study

纯金属氧化物纳米笼和掺杂2B族过渡金属氧化物纳米笼作为单原子催化剂在储氢过程中的性能:DFT研究

Shehata, Mohammed N I; Mohamed, Lamiaa A; Yang, Hu; Shoeib, Tamer; Al-Fahemi, Jabir H; Ibrahim, Mahmoud A A

In-Silico Exploration of the StreptomeDB Database for Potential Irreversible DprE1 Inhibitors toward Antitubercular Treatment

利用计算机模拟方法探索 StreptomeDB 数据库中潜在的不可逆 DprE1 抑制剂,以用于抗结核治疗

Mahmoud, Doaa G M; Mekhemer, Gamal A H; Hegazy, Mohamed-Elamir F; Al-Fahemi, Jabir H; Ibrahim, Mahmoud A A

Study on Regio- and Diastereoselectivity of the 1,3-Dipolar Cycloaddition Reaction of Azomethine Ylide with 2-(Benzo[ d]thiazol-2-yl)-3-(aryl)acrylonitrile: Synthesis, Spectroscopic, and Computational Approach

亚甲碱叶立德与 2-(苯并[d]噻唑-2-基)-3-(芳基)丙烯腈的 1,3-偶极环加成反应的区域和非对映选择性研究:合成、光谱和计算方法

Essam M Hussein, Ziad Moussa, Jabir H Al-Fahemi, Munirah M Al-Rooqi, Rami J Obaid, M Shaheer Malik, Alaa S Abd-El-Aziz, Saleh A Ahmed

Antibacterial Properties and Computational Insights of Potent Novel Linezolid-Based Oxazolidinones.

新型强效利奈唑胺基噁唑烷酮的抗菌特性及计算见解

Malik M Shaheer, Faazil Shaikh, Alsharif Meshari A, Sajid Jamal Qazi Mohammad, Al-Fahemi Jabir H, Banerjee Amrita, Chattopadhyay Arpita, Pal Samir Kumar, Kamal Ahmed, Ahmed Saleh A

Natural parsley oil as a green and safe inhibitor for corrosion of X80 carbon steel in 0.5 M H2SO4 solution: a chemical, electrochemical, DFT and MC simulation approach

天然欧芹油作为 0.5 M H2SO4 溶液中 X80 碳钢腐蚀的绿色安全抑制剂:化学、电化学、DFT 和 MC 模拟方法

M Abdallah, K A Soliman, B A Al Jahdaly, Jabir H Al-Fahemi, H Hawsawi, H M Altass, M S Motawea, Salih S Al-Juaid

Enhancing the inhibition and adsorption performance of SABIC iron corrosion in sulfuric acid by expired vitamins. Experimental and computational approach

利用过期维生素增强硫酸中SABIC铁腐蚀的抑制和吸附性能:实验与计算方法

Abdallah, M; Soliman, K A; Al-Gorair, Arej S; Al Bahir, A; Al-Fahemi, Jabir H; Motawea, M S; Al-Juaid, Salih S

Cospatial σ-Hole and Lone Pair Interactions of Square-Pyramidal Pentavalent Halogen Compounds with π-Systems: A Quantum Mechanical Study

五价卤素化合物与π体系的共空间σ空穴和孤对电子相互作用:量子力学研究

Ibrahim, Mahmoud A A; Ahmed, Ossama A M; El-Taher, Sabry; Al-Fahemi, Jabir H; Moussa, Nayra A M; Moustafa, Hussein

On the Potentiality of X-T-X(3) Compounds (T = C, Si, and Ge, and X = F, Cl, and Br) as Tetrel- and Halogen-Bond Donors

关于 XTX(3) 化合物(T = C、Si 和 Ge,X = F、Cl 和 Br)作为四元键和卤键供体的潜力

Ibrahim, Mahmoud A A; Moussa, Nayra A M; Soliman, Mahmoud E S; Moustafa, Mahmoud F; Al-Fahemi, Jabir H; El-Mageed, H R Abd

Wide bandgap semiconductor-based novel nanohybrid for potential antibacterial activity: ultrafast spectroscopy and computational studies

基于宽带隙半导体的新型纳米混合物的潜在抗菌活性:超快光谱和计算研究

Md Nur Hasan, Tuhin Kumar Maji, Uttam Pal, Arpan Bera, Damayanti Bagchi, Animesh Halder, Saleh A Ahmed, Jabir H Al-Fahemi, Tahani M Bawazeer, Tanusri Saha-Dasgupta, Samir Kumar Pal