Quantum and molecular mechanics are the most efficient methodologies that make breakthrough in developing technologies to meet future demand. More interest is doing fundamental multi-scale computational calculations for Chemical systems and design an appropriate applications.

This is a key factor in industrial and environmental technology development

• Publications

Synthesis, Characterization, Antimicrobial Evaluation and DFT Calculations of Fe(III), Ni(II) and Cu(II) Complexes of Tridentate ONO Donor Ligand

2018-09-05 04:06:50 | Keywords

AM Abdel-Mawgoud, Mohamed Ismael, A Abdou Journal of Pharmaceutical and Applied Chemistry 3 (3), 259 - 266 Read more

Synthesis, characterization, DFT calculations and biological studies of Mn (II), Fe (II), Co (II) and Cd (II) complexes based on a tetradentate ONNO donor Schiff base ligand

2018-09-05 04:43:21 | Keywords

L H Abdel-Rahman, NM Ismail, M Ismael, AM Abu-Dief, EAH Ahmed Journal of Molecular Structure 1134, 851-862 Read more

Synthesis, characterization, and biological activity of new mixed ligand transition metal complexes of glutamine, glutaric, and glutamic acid with nitrogen based ligands

2018-09-05 04:08:57 | Keywords

L H Abdel-Rahman, AM Abu-Dief, NM Ismail, M Ismael Inorganic and Nano-Metal Chemistry 47 (3), 467-480 Read more

Electrophoretic and Molecular Dynamic Evaluation of Mutagenicity Induced by Toxic Factors Affecting Testicular Tissue in Rats

2018-09-05 04:10:45 | Keywords

Wael M. Aboulthana, Mohamed Ismael, Hatem S. Farghaly International Journal of Current Pharmaceutical Review and Research, 7 (6), 319 - 333 Read more

Effect of Indium Alloying with Lead on the Mechanical Properties and Corrosion Resistance of Lead-Indium Alloys in Sulfuric Acid Solution

2018-09-05 04:29:39 | Keywords

A R El-Sayed, EMM Ibrahim, HS Mohran, M Ismael, HAS Shilkamy Metallurgical and Materials Transactions A 46 (5), 1995-2006 Read more

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