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Title: Chemical sciences in the focus ;. Theoretical and computational chemistry aspects. — v. 3.
Other creators: Ramasami Ponnadurai
Organization: Virtual Conference on Chemistry and its Applications "Research and Innovations in Chemical Sciences: Paving the Way Forward"
Collection: Электронные книги зарубежных издательств; Общая коллекция
Subjects: Chemistry, Physical and theoretical.; Computational chemistry.; EBSCO eBooks
Document type: Other
File type: PDF
Language: English
Rights: Доступ по паролю из сети Интернет (чтение, печать, копирование)
Record key: on1273973664

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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.

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Table of Contents

  • 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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