Nanoscience and Computational Chemistry: Research Progress

ISBN-13: 9781774632888 / Angielski / Miękka / 2021 / 488 str.

Andrew G. Mercader; Eduardo a. Castro; A. K. Haghi

Opis

This book provides innovative chapters covering new methodologies and important applications in the fields of nanoscience 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 bo

Spis treści

Nanotechnology to Drug Delivery: A Biopharmaceutical Perspective. Radio-Labelled Nanoparticles Using b+ 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_2n and B_n 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

O autorze

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