Nanoscience and Computational Chemistry : Research Progress book cover
1st Edition

Nanoscience and Computational Chemistry
Research Progress

ISBN 9781774632888
Published March 31, 2021 by Apple Academic Press
488 Pages 130 B/W Illustrations

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Book Description

This book provides innovative chapters covering new methodologies and important applications in the fields of nanoscience and computational chemistry. The book offers scope for academics, researchers, and engineering professionals to present their research and development works that have potential for applications in several disciplines of nano and computational chemistry.

Contributions range from new methods to novel applications of existing methods to help readers gain an understanding of the material and/or structural behavior of new and advanced systems. This book is a high quality tool for researchers, providing an overview of the field, explaining the basic underlying theory at a meaningful level, and giving numerous comparisons of different methods.

Table of Contents

Advances on Applications of Nanotechnology to Drug Delivery: A Biopharmaceutical Perspective
Radio-Labelled Nanoparticles Using (beta sign)+ Radionuclides as Diagnostic Agents: An Overview and a Chemotopological Approach
Carbon-Based High Aspect Ratio Polymer Nanocomposites
Ultrafast Laser Dynamics on Molecular Nanomagnets
Alternant Conjugated Organic Oligomers as Templates for Sustainable Carbon Nanotube-Based Molecular Nanowire Technologies
Designing of Some Novel Molecular Templates Suitable for Hydrogen Storage Applications: A Theoretical Approach
Computational Insights of Adsorption and Catalysis Within Nanoporous Zeolites 
Cluster Bundlet Model of Single-Wall C, BC(2 in subscript)N and BN Nanotubes, Cones and Horns 
Computational Strategies for Nonlinear Optical Properties of Carbon Nano-Systems
Modern Density Functional Theory: A Useful Tool for the Computational Study of Nanotechnology
Molecular Dynamics Simulations: Applicability and Scopes In Computational Biochemistry
Structural Information from Molecular Descriptors Based on The Monte Carlo Method: Applications to Nanoscale Structures

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Mercader, Andrew G. | Castro, Eduardo A. | Haghi, A. K.|