The theoretical study of anticancer rhodium complexes and methyl groups effect on ligands in chemical reactivity, global descriptors, ADMET by DFT study

Mohammad Jahidul ISLAM, Ajoy KUMER, Md Wahab KHAN

Structural Analysis of Some Pyrrolopyrimidine Derivatives and Examining their Binding Affinity against Cyclooxygenase-2 Enzyme

Kun HARİSMAH, Mahmoud MIRZAEI, Kimia GHAFARI

DFT/TDDFT studies of the structural, electronic, NBO and non-linear optical proper-ties of triphenylamine functionalized tetrathiafulvalene

Mohammed BOUACHRINE, Ahmed AZAID, Tayeb ABRAM, Rchid KACİMİ, Marzouk RAFTANI, Abdelouahid SBAİ, Tahar LAKHLIFI

Methyl-mercaptane adsorption and sensing on Fe-/Co-graphene structures: A DFT study

Numan YUKSEL, Ahmet KOSE, Mehmet Ferdi FELLAH

Study of dipolar 1.3 cycloaddition reaction by DFT method, as well as study of antibacterial activity of two isomers 1.4 and 1.5 on two therapeutic targets E. coli and Helicobacter pylori, by molecular docking

Mohammed Aziz AJANA, Abdessadak OUMAYMA, Halima HAJJI, Yassıne KOUBI, Tahar LAKHLIFI, Mohammed BOUACHRINE