Volume 12 (2024)
Volume 11 (2023)
Volume 10 (2022)
Volume 9 (2021)
Volume 8 (2020)
Volume 7 (2019)
Volume 6 (2018)
Volume 5 (2017)
Volume 4 (2016)
Volume 3 (2015)
Volume 2 (2014)
Volume 1 (2013)
Keywords = DFT
Number of Articles: 3
The effect of halogen atoms at propanoate anion on thermo physical, vibrational spectroscopy, chemical reactivity, biological properties of morpholinium propionate Ionic Liquid
Volume 8, Issue 2 , May and June 2020, , Pages 112-127
Abstract
The morpholinium cation based ionic liquids are designed to evaluate the thermophysical, chemical reactivity, and biological activity. To estimate and design the bioactive ILs, propionate ... Read More
Study of Photoisomerization in Cis-Retinal as a Natural Photo Switch in Vision Using Density Functional Theory
Volume 1, Issue 11 , November 2013, , Pages 1505-1511
Abstract
In the present study, theoretical chemical reactivates Photo isomerization in Cis-Retinal as a Natural Photo switch in Vision. DFT hybrid functional, B3LYP and, post-HF method, were ... Read More
Study of Cis–trans Isomerization Mechanism of [3-(3-Aminomethyl) Phenylazo] Phenyl Acetic Acid as a Causative Role in Alzheimer Using Density Functional Theory
Volume 1, Issue 11 , November 2013, , Pages 1512-1517