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Vol 11, No 4 (2020): December 2020 Mechanistic insight into propane dehydrogenation into propylene over chromium (III) oxide by cluster approach and Density Functional Theory calculations Abstract  PDF
Toyese Oyegoke, Fadimatu Nyako Dabai, Adamu Uzairu, Baba El-Yakubu Jibril
 
Vol 12, No 3 (2021): September 2021 Kinetic modeling of the biodiesel production process using neem seed oil: An alternative to petroleum-diesel Abstract  PDF
Toyese Oyegoke, Kazeem Ajadi Ibraheem
 
Vol 5, No 1 (2014): March 2014 Green synthesis, antibacterial activity and computational study of pyrazoline and pyrimidine derivatives from 3-(3,4-dimethoxy-phenyl-1-(2,5-dimethyl-thiophen-3-yl)-propenone Abstract  PDF
Salman Ahmad Khan, Abdullah Mohamed Asiri, Sanjay Kumar, Kamlesh Sharma
 
Vol 6, No 4 (2015): December 2015 Synthesis, antimicrobial activity, computational and modeling studies of some new organotellurium compounds containing azo moities Abstract  PDF
Wasfi Aboud Al-Masoudi, Rafid Hmedan Al-Asadi, Rasha Munther Othman, Najim Aboud Al‐Masoudi
 
Vol 11, No 3 (2020): September 2020 Computational approach for predicting the adsorption properties and inhibition of some antiretroviral drugs on copper corrosion in HNO3 Abstract  PDF
Mougo André Tigori, Amadou Kouyaté, Victorien Kouakou, Paulin Marius Niamien, Albert Trokourey
 
Vol 5, No 2 (2014): June 2014 Computational study and antimicrobial activity of few Dapsone Schiff base derivatives Abstract  PDF
Wasfi Abood Al-Masoudi, Tamadher Mohammad Al-Tememy, Rafid Hmedan Al-Assadi
 
Vol 11, No 4 (2020): December 2020 Mitigate the cytokine storm due to the severe COVID-19: A computational investigation of possible allosteric inhibitory actions on IL-6R and IL-1R using selected phytochemicals Abstract  PDF
Harindu Rajapaksha, Bingun Tharusha Perera, Jeewani Meepage, Ruwan Tharanga Perera, Chithramala Dissanayake
 
Vol 12, No 3 (2021): September 2021 Theoretical study of the adsorption of BMSF-BENZ drug for osteoporosis disease treatment on Al-doped carbon nanotubes (Al-CNT) as a drug delivery vehicle Abstract  PDF
Zaid Husham Al-Sawaff, Serap Senturk Dalgic, Fatma Kandemirli
 
Vol 11, No 3 (2020): September 2020 Adsorption and diffusion of H2 and CO on UiO-66: A Monte Carlo simulation study Abstract  PDF
Negin Davoodian, Zahra Khoshbin
 
Vol 12, No 3 (2021): September 2021 Synthesis, crystal structure, and theoretical studies of a macrocyclic silver(I) complex of imino-pyridyl Schiff base ligand Abstract  PDF
Jahangir Mondal, Meman Sahu, Bhaskar Sharma, Rakesh Ganguly, Shubhamoy Chowdhury, Goutam Kumar Patra
 
Vol 9, No 2 (2018): June 2018 Microwave synthesis of some N-phenylhydrazine-1-carbothioamide Schiff bases Abstract  PDF
Bushra Kamil Al-Salami
 
Vol 6, No 2 (2015): June 2015 Synthesis, characterization, DNA-binding and biological activity of Zn(II) complexes of sulfadiazine with different amino acids Abstract  PDF
Ahmed Abdlmonem El-Henawy, Ahmed Imam Hanafy
 
Vol 6, No 3 (2015): September 2015 Molecular structure, vibrational spectroscopic and HOMO/LUMO studies of some organotellurium compounds by quantum chemical investigations Abstract  PDF
Rafid Hmedan Al-Asadi, Bahjat Ali Saeed, Tarik Ali Fahad
 
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