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, BC2n 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

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

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.