Chemical Sciences for the New Decade. Volume 3: Computational, Education, and Materials Science Aspects 3

Chapters 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. Preface Contents List of contributing authors 1 Synthesis, characterization, DFT and molecular docking studies of acetone O-((2,5-dichlorophenyl)sulfonyl) oxime 2 Photovoltaic properties of novel reactive azobenzoquinolines: experimental and theoretical investigations 3 Social media and learning in an era of coronavirus among chemistry students in tertiary institutions in Rivers State 4 A conversation on the quartic equation of the secular determinant of methylenecyclopropene 5 Modification of kaolinite/muscovite clay for the removal of Pb(II) ions from aqueous media 6 In silico design of ACE2 mutants for competitive binding of SARS-CoV-2 receptor binding domain with hACE2 7 Computational study of Cu n AgAu (n = 1–4) clusters invoking DFT based descriptors 8 Antibreast cancer activities of phytochemicals from Anonna muricata using computer-aided drug design (CADD) approach 9 Development of an online assessment system to evaluate knowledge on chemical safety and security 10 Optimizing Cr(VI) adsorption parameters on magnetite (Fe 3 O 4 ) and manganese doped magnetite (Mn x Fe (3-x) O 4 ) nanoparticles 11 The spontaneity of chemical reactions: challenges with handling the concept and its implications 12 Conformational preferences and intramolecular hydrogen bonding patterns of tetraflavaspidic acid BBBB – a tetrameric acylphloroglucinol 13 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 14 Educators’ reflections on the teaching and learning of the periodic table of elements at the upper secondary level: a case study Index This conference was held in August 2021 and organised 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