Volume 3 (2020)
Volume 2 (2019)
Volume 1 (2018)
Author = Ajoy Kumer
Number of Articles: 4
1. Theoretical Investigation of Doping Effect of Fe for SnWO4 in Electronic Structure and Optical Properties: DFT Based First Principle Study
Volume 3, Issue 5 , Summer 2020, , Pages 639-644
Abstract
In this work, the electronic band structures, total density of state, partial density of state, and optical properties were investigated using the first principle method for SnWO4 ... Read More
2. Electronics Structure and Optical Properties of Ag2BiO3, (Ag2)0.88Fe0.12BiO3: A First Principle Approach
Volume 3, Issue 4 , July and August 2020, , Pages 542-550
Abstract
Electronic band structures, the total density of state, partial density of state and optical properties were investigated using first principle method for Ag2BiO3 via Generalized Gradient ... Read More
3. The prediction and theoretical study for chemical reactivity, thermophysical and biological activity of morpholinium nitrate and nitrite ionic liquid crystals: A DFT study
Volume 2, Issue 4 , Summer 2019, , Pages 316-326
Abstract
As the morpholine and morphine have been used all over the world as pain killer drugs even used in cancer treatment, so the morpholine is more demanding chemical molecule. In our work, ... Read More
4. The Theoretical Prediction of Thermophysical properties, HOMO, LUMO, QSAR and Biological Indics of Cannabinoids (CBD) and Tetrahhdrocannabinol (THC) by Computational Chemistry
Volume 2, Issue 3 , Summer 2019, , Pages 190-202