Keywords = Adsorption energy
Comparative Adsorption Calculations for Carbon Mono-Oxide and Hydro Cyanide Gas Molecules Interaction with Graphene Material Using Density Function Theory

Volume 65, Issue 131, December 2022, Pages 385-391

10.21608/ejchem.2022.120895.5420

Hussein A. Madlol; Jasim M. Salman; Ayat A. Yosif; Hayder Mohammed abduljalil; Eman Ahmed; Halah T. Mohammed; Mohammed A. Al-Seady


Investigation Ability of Single Walled Carbon Nanotubes to Detection Toxic Gases Utilizing DFT Calculations

Volume 65, Issue 6, June 2022, Pages 89-98

10.21608/ejchem.2021.87777.4232

Rajaa K. Mohammad; Shaymaa Hussein Nowfal; Mohammed A. Al-Seady; Hayder M. Abduljalild


Studying the adsorption energy of CO gas molecule in different nano-systems using density function theory

Volume 64, Issue 5, May 2021, Pages 2607-2612

10.21608/ejchem.2021.55434.3169

Mohammed A. Al-Seady; Eman Ahmed; Hayder M. abduljalil; Ahmed Abdul-ridha Kahewish


ICMMS-2: Metal−organic Frameworks for Hydrogen Storage: Theoretical Prospective

Volume 64, Issue 3, March 2021, Pages 1133-1140

10.21608/ejchem.2021.55853.3182

Lobna A. Heikal; Walid M.I. Hassan; Asmaa S. Hamouda; Hamdy F. M. Mohamed; Ahmed H. El-shazly; Medhat A. Ibrahim