Chemical Sciences in the Focus. / Volume 3, : Theoretical and Computational Chemistry Aspects / / ed. by Ponnadurai Ramasami.
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 o...
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Superior document: | Title is part of eBook package: De Gruyter DG Ebook Package English 2021 |
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MitwirkendeR: | |
HerausgeberIn: | |
Place / Publishing House: | Berlin ;, Boston : : De Gruyter, , [2021] ©2021 |
Year of Publication: | 2021 |
Language: | English |
Series: | Chemical Sciences in the Focus ;
Volume 3 |
Online Access: | |
Physical Description: | 1 online resource (XIII, 197 p.) |
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Other title: | 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 |
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Summary: | 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. |
Format: | Mode of access: Internet via World Wide Web. |
ISBN: | 9783110739763 9783110750720 9783110750706 9783110754001 9783110753776 9783110754162 9783110753936 |
DOI: | 10.1515/9783110739763 |
Access: | restricted access |
Hierarchical level: | Monograph |
Statement of Responsibility: | ed. by Ponnadurai Ramasami. |