Theoretical and computational chemistry aspects
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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| Format: | Conference Proceeding eBook |
| Language: | English |
| Published: |
Berlin ; Boston
De Gruyter,
[2021]
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| Series: | Chemical sciences in the focus ;
v. 3. |
| Subjects: | |
| Online Access: | https://www.lib.tsu.ru/mminfo/2023/EBSCO/3050103.pdf |
Table of Contents:
- 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