Nanoscience and Computational Chemistry

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

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