This paper contains a combined experimental and theoretical study of vibrational and
electronic properties of Benzyl (imino (1H-pyrazol-1-yl) methyl) carbamate (BPMC) …

Two new anthracenyl chalcone isomers namely (E)-1-(anthracen-9-yl)-3-(2, 4-
dichlorophenyl) prop-2-en-1-one and (E)-1-(anhracen-9-yl)-3 (2, 6-dichlorophenyl) prop-2 …

Preparation of catalytically active dinuclear transition metal complexes with an open
coordination sphere is a challenging task because the metal sites tend to be “saturated” with …

Abstract According to the World Health Organization reports, cancer is the leading cause of
death around the globe. Infectious diseases, parasitic infections, and cardiovascular …

Objectives Molecular structures, spectroscopic properties, charge distributions, frontier
orbital energies, nonlinear optical (NLO) properties and molecular docking simulations were …

A new ligand N-benzyl-4, 5-dihydro-3-methyl-5-oxo-1H-pyrazole-4-carbothioamide (H 2 L)
and some of its divalent metal complexes were synthesized. Elemental analyses, mass …

The present work highlighted the integration of quantum chemical approach and
experimental results in attempts to elucidate the structural-property characteristics and …

This study focuses on the design of the new dye of donor-π-acceptor (D− π− A) system of
methyl 4-((4-aminophenyl) ethynyl) benzoate (MAPEB) to highlight its structural-property …

Polarizability and hyperpolarizability values from the theoretical studies provided evidence
that the material can be employed as an efficient nonlinear optical (NLO) material. The z …

Cancer is one of the disorders that causes the most fatalities in modern times and is
responsible for a significant number of deaths each year. The accurate administration of this …