Structural Analysis using Computational Chemistry

by Norma-Aurea Rangel-Vázquez (Editor)

Overview

Computational chemistry is a science that allows researchers to study, characterize and predict the structure and stability of chemical systems. In other words: studying energy differences between different states to explain spectroscopic properties and reaction mechanisms at the atomic level. This field is gaining in relevance and strength due to field applications from chemical engineering, electrical engineering, electronics, biomedicine, biology, materials science, to name but a few. Structural Analysis using Computational Chemistry arises from the need to present the progress of computational chemistry in various application areas. Technical topics discussed in the book include: • Quantum mechanics and structural molecular study (AM1)• Application of quantum models in molecular analysis• Molecular analysis of insulin through controlled adsorption in hydrogels based on chitosan• Analysis and molecular characterization of organic materials for application in solar cells• Determination of thermodynamic properties of ionic liquids through molecular simulation

Product Details

ISBN-13:	9788770044561
Publisher:	River Publishers
Publication date:	10/21/2024
Pages:	182
Product dimensions:	6.12(w) x 9.19(h) x (d)

About the Author

Norma-Aurea Rangel-Vàzquez is a Professor Research at Technological Institute of Aguascalientes (ITA) in the Department of Metalmechanical in Materials Engineering program. She realized in 2007 the research of Polyurethane Porous/Hydroxyapatite for Biomedical Applications: Synthesis and Characterization for the degree of PhD in Polymers Science (Mexico). Later, she carried out a postdoctoral study using computational modeling at ITA. To date, She has have published several papers (30) in journals indexed in the Web of Science - Journal Citation Reports and in other journals, 1-book and 15-chapters book (Wiley, CRC-Press Taylor, ELSEVIER and, Science Publishing), 50 memories of national and international congress. She has served as a reviewer for different journals such as: Journal of Applied Polymer Science, Materials Letters, Carbohydrate Polymers, Journal Polymer Engineering & Science, Thermochimica Acta, Journal of Molecular Structure, Journal of Surface and Coatings Technology, Academic Journal of Agricultural Research, World Journal of Engineering and Physical Sciences (WJEPS), Jour- nal of Agriculture Research, Annual Research & Review in Biology, Journal of Applied Physical Science International, Global Conference on Polymer and Composite Materials 2015 and International Journal of Nanomedicine. She had been participate in international committee in congress at: The 3rd Int'l Conference on Surface and Interface of Materials (SIM 2017), China. 2nd Conference International of Surface and Interface on Materials, Thailand. 2016 Spring World Congress on Engineering and Technologies (SCET 2016) in the topic: 2016 Spring International Conference on Materials Sciences and Technologies (MST-S), China. Global Conference on Polymer and Composite Materials 2015. China. She is on the Editorial Board Member of several journals including, Journal of Pharmaceutics & Drug Develop- ment, Material Science and Engineering with Advanced Research, Journal of Nanomedicine Research, Nanomedicine Research Journal, BAOJ Pharmaceu- tical Science (Bioaccent) and Chemistry Journal. Currently. Currently, she is Editor in Chief in Journal of Pharmaceutics & Drug Development and BAOJ Pharmaceutical Science (Bioaccent). She is interested on Controlled drug delivery systems. In particular, skin, diabetes mellitus, antifungical, Design and preparation of oral solid (tablets and capsules) dosage forms, Analysis of drugs in pure forms, formulations and biological matrices, Bioadhesive drug delivery systems, especially hydrogels Polymers, biopolymers and IPNs, respectively.

Table of Contents

Structural Analysis using Computational Chemistry