Chemical Sciences in the Focus. / Volume 3, : Theoretical and Computational Chemistry Aspects / / ed. by Ponnadurai Ramasami.

• Superior document: Title is part of eBook package: De Gruyter DG Ebook Package English 2021
• MitwirkendeR: Adeleye, Aderemi T.,; Adewole, Kayode E.,; Agwupuye, John A.,; Banerjee, Tandrima,; Bassey, Asuquo B.,; Bassey, Victoria M.,; Bisong, Emmanuel A.,; Chioma, Apebende G.,; Edim, Moses M.,; Ekpen, Francis O.,; Elenkova, Atanaska,; Enudi, Obieze C.,; Ezekiel Awe, Oluseyi,; Ishola, Ahmed A.,; Kumar Bhattacharyya, Pradip,; Louis, Hitler,; Mammino, Liliana,; Morayo Oshakuade, Olugbenga,; Mujong, Tiyati H.,; Nedyalkova, Miroslava,; Ofori, Albert,; Olaseni, Segun E.,; Olowu, Rasaq A.,; Omolaso, Blessing O.,; Osundiya, Medinat O.,; Owoyomi, Olanrewaju,; Peter, Linda I.,; Prince, David,; Robeva, Ralitsa,; Saha, Bapan,; Sam, Queen O.,; Samanta, Abhijit,; Simeonov, Vasil,; Tetteh, Samuel,; Ubana, Emmanuel I.,; Unimuke, Tomsmith O.,
• HerausgeberIn: Ramasami, Ponnadurai,
• Place / Publishing House: Berlin ;, Boston : : De Gruyter, , [2021]; ©2021
• Year of Publication: 2021
• Language: English
• Series: Chemical Sciences in the Focus ; Volume 3
• Physical Description: 1 online resource (XIII, 197 p.)

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.

Table of Contents

Frontmatter -- Preface of the Book of Proceedings of the Virtual Conference on Chemistry and its Applications (VCCA-2020) -- Contents -- List of contributing authors -- 1 Role of heteroatoms and substituents on the structure, reactivity, aromaticity, and absorption spectra of pyrene: a density functional theory study -- 2 Effect of delocalization of nonbonding electron density on the stability of the M–Ccarbene bond in main group metalimidazol- 2-ylidene complexes: a computational and structural database study -- 3 Educational components in the supervision of chemistry postgraduate students: experiences and reflections -- 4 Chemometric exploratory data analysis for patients with diabetes type 2 and diabetic complications -- 5 Electronic structure theory study of the reactivity and structural molecular properties of halo-substituted (F, Cl, Br) and heteroatom (N, O, S) doped cyclobutane -- 6 Theoretical investigation of the stability, reactivity, and the interaction of methylsubstituted peridinium-based ionic liquids -- 7 Chemical computational approaches for optimization of effective surfactants in enhanced oil recovery -- 8 Determination of bulk and surface properties of liquid Bi-Sn alloys using an improved quasi-lattice theory -- 9 Identification of potential histone deacetylase inhibitory biflavonoids from Garcinia kola (Guttiferae) using in silico protein-ligand interaction -- 10 Thermodynamics of the micellization of quaternary based cationic surfactants in triethanolamine-water media: a conductometry study -- Index