Developing the amazing photocatalyst of ZnAg2GeSe4, ZnAg2Ge0.93Fe0.07Se4 and ZnAg2Ge0.86Fe0.14Se4 through the computational explorations by four DFT functionals

by Ajoy Kumer, Unesco Chakma
Published 2021-07-01

The effect of alkyl chain and electronegative atoms in anion on biological activity of anilinium carboxylate bioactive ionic liquids and computational approaches by DFT functional...

by Ajoy Kumer, Md. Wahab Khan
Published 2021-07-01

Facile fabrication of polymer network using click chemistry and their computational study

by Md. Kausar Ahmed, Ajoy Kumer, Abu Bin Imran
Published 2021-03-01

A Computational Investigation of Electronic Structure and Optical Properties of AlCuO2 and AlCu0.96Fe0.04O2: A First Principle Approach

by Md. Tawhidul Islam, Ajoy Kumer, Unesco Chakma, Debashis Howlader
Published 2021-03-01

Investigating the binding affinity, molecular dynamics, and ADMET properties of 2,3-dihydrobenzofuran derivatives as an inhibitor of fungi, bacteria, and virus protein

by Ashutosh Nath, Ajoy Kumer, Fahmida Zaben, Md. Wahab Khan
Published 2021-06-01

The Prediction of Thermo Physical, Vibrational Spectroscopy, Chemical Reactivity, Biological Properties of Morpholinium Borate, Phosphate, Chloride and Bromide Ionic Liquid: A DFT...

by Ajoy Kumer, Sunanda Paul, Md. Nuruzzaman Sarker, Mohammad Jahidul Islam
Published 2019-10-01

The Photochemical Degradation (PCD) of Nitrobenzene (NB) using UV Light and Fenton Reagent Under Various Conditions

by Md. Boshir Ahmed, Ajoy Kumer, Muhammad Islam, Tajmeri Selima Akhter Islam
Published 2018-01-01

A Theoretical Investigation for Electronics Structure of Mg(Bio2)2 Semiconductor Using First Principle Approach

by Kamal Bikash Chakma, Ajoy Kumer, Unesco Chakma, Debashis Howlader, Md. Tawhidul Islam
Published 2020-06-01