Theoretical study of the photophysical/photochemical properties of 1H‐benzimidazole and its derivatives was carried out using APFD, B3LYP, CAM‐B3LYP and PBE0 density …
PA Praveen, RR Babu - Journal of Molecular Graphics and Modelling, 2019 - Elsevier
In the present work, semiempirical quantum chemical method (PM6) has been used for the simulation of molecular descriptors of first row transition metal ions incorporated …
PA Praveen, RR Babu… - Materials Research …, 2017 - iopscience.iop.org
Metal organic complexes, diaceto bis benzimidazole cobalt (II) and diaceto bis benzimidazole copper (II), are synthesized by a simple chemical route. The synthesized …