Volume 3 (2020)
Volume 2 (2019)
Volume 1 (2018)
Keywords = DFT
Number of Articles: 2
1. Nalidixic Acid Adsorption on the Surface of Boron Nitride Nanocluster (B12N12): DFT Studies
Volume 3, Issue 6 , November and December 2020, , Pages 740-749
Abstract
In this research study, the detection and removal of nalidixic acid by boron nitride nanocluster (B12N12) were investigated using the DFT, infra-red (IR), natural bond orbital (NBO) ... Read More
2. DFT calculations of the neighboring groups effects on cheletropic reaction of 2,5-Dihydrothiophene sulfone
Volume 1, Issue 2 , Autumn 2018, , Pages 117-126