Volume 5 (2022)
Volume 4 (2021)
Volume 3 (2020)
Volume 2 (2019)
Volume 1 (2018)
Keywords = HOMO
Number of Articles: 2
Computational approach of palladium (II) complex ions with binuclear diamine ligands thermo-physical, chemical, and biological properties: a dft study
Volume 3, Issue 1 , January 2020, , Pages 67-81
Abstract
Incomputational chemistry through various basis sets, it is possible to design new molecules and discuss their use through their physical, chemical, biochemical studies. Chemical activity, ... Read More
A computational study of thermophysical, HOMO, LUMO, vibrational spectrum and UV-visible spectrum of cannabicyclol (CBL), and cannabigerol (CBG) using DFT
Volume 2, Issue 4 , October 2019, , Pages 439-447