Ramasami P. Chemical Sciences in the Focus Vol 3...2021

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Ramasami P. Chemical Sciences in the Focus Vol 3...2021

Textbook in PDF format Based on "The Virtual Conference on Chemistry and its Applications (VCCA-2020) – Research and Innovations in Chemical Sciences: Paving the Way Forward" held in August 2020 and organized by the Computational Chemistry Group of the University of Mauritius. The chapters reflect a wide range of fundamental and applied research in the chemical sciences and interdisciplinary subjects. Includes peer-reviewed chapters in Organic Chemistry, Inorganic Chemistry, Physical Chemistry, Green and Applied Chemistry, Computational Chemistry. Role of heteroatoms and substituents on the structure, reactivity, aromaticity, and absorption spectra of pyrene: a density functional theory study Effect of delocalization of nonbonding electron density on the stability of the M–Ccarbene bond in main group metal-imidazol-2-ylidene complexes: a computational and structural database study Educational components in the supervision of chemistry postgraduate students: experiences and reflections Chemometric exploratory data analysis for patients with diabetes type 2 and diabetic complications Electronic structure theory study of the reactivity and structural molecular properties of halo-substituted (F, Cl, Br) and heteroatom (N, O, S) doped cyclobutane Theoretical investigation of the stability, reactivity, and the interaction of methyl-substituted peridinium-based ionic liquids Chemical computational approaches for optimization of effective surfactants in enhanced oil recovery Determination of bulk and surface properties of liquid Bi-Sn alloys using an improved quasi-lattice theory Identification of potential histone deacetylase inhibitory biflavonoids from Garcinia kola (Guttiferae) using in silico protein-ligand interaction Thermodynamics of the micellization of quaternary based cationic surfactants in triethanolamine-water media: a conductometry study