Ramasami P. (ed.) Chemical Sciences for the New Decade. Volume 3: Computational, Education, and Materials Science Aspects

Walter de Gruyter GmbH, 2022. — 254 p. — ISBN: 978-3-11-078359-9Chapters collected from “The Virtual Conference on Chemistry and its Applications (VCCA-2021) – Research and Innovations in Chemical Sciences: Paving the Way Forward”. This conference was held in August 2021 and organized by the Computational Chemistry Group of the University of Mauritius. These peer-reviewed chapters offer insights into research on fundamental and applied chemistry with interdisciplinary subject matter.
Volume 3 contains peer-reviewed chapters on topics in computation chemistry, chemical education, and materials science.
Chapters submitted from attendees of the VCCA 2021 Conference.Synthesis, characterization, DFT and molecular docking studies of acetone O-((2,5-dichlorophenyl)sulfonyl) oxime
Photovoltaic properties of novel reactive azobenzoquinolines: experimental and theoretical investigations
Social media and learning in an era of coronavirus among chemistry students in tertiary institutions in Rivers State
A conversation on the quartic equation of the secular determinant of methylenecyclopropene
Modification of kaolinite/muscovite clay for the removal of Pb(II) ions from aqueous media
In silico design of ACE2 mutants for competitive binding of SARS-CoV-2 receptor binding domain with hACE2
Computational study of CunAgAu (n = 1–4) clusters invoking DFT based descriptors
Antibreast cancer activities of phytochemicals from Anonna muricata using computer-aided drug design (CADD) approach
Development of an online assessment system to evaluate knowledge on chemical safety and security
Optimizing Cr(VI) adsorption parameters on magnetite (Fe3O4) and manganese doped magnetite (MnxFe(3-x)O4) nanoparticles
The spontaneity of chemical reactions: challenges with handling the concept and its implications
Conformational preferences and intramolecular hydrogen bonding patterns of tetraflavaspidic acid BBBB – a tetrameric acylphloroglucinol
Synthesis, characterization, and theoretical investigation of 4-chloro-6(phenylamino)- 1,3,5-triazin-2-yl)asmino-4- (2,4-dichlorophenyl)thiazol-5-yl-diazenyl) phenyl as potential SARS-CoV-2 agent
Educators’ reflections on the teaching and learning of the periodic table of elements at the upper secondary level: a case study