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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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