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...
Saved in:
| Other Authors | |
|---|---|
| Format | Electronic eBook |
| Language | English |
| Published |
Berlin ; Boston :
De Gruyter,
[2021]
|
| Series | Chemical sciences in the focus ;
v. 3. |
| Subjects | |
| Online Access | Full text |
| ISBN | 9783110739763 3110739763 9783110739800 3110739801 9783110739749 |
| Physical Description | 1 online resource |
Cover
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