Chapter 1 A Quantum Chemistry Approach for the Design and Analysis of Nanosensors for Fissile Materials

Chapter 2 Distinct Diameter Dependence of Redox Property for Armchair, Zigzag Single-walled, and Double-walled Carbon Nanotubes

Chapter 3 Design and Applications of Nanomaterial-Based and Biomolecule-Based Nanodevices and Nanosensors

Chapter 4 Gas Sensing and Thermal Transport Through Carbon-Nanotube-Based Nanodevices

Chapter 5 Challenges Associated to the Multi-Scale Modeling of Fuel Electro-Oxidation for Fuel Cell Applications

Chapter 6 Molecular Dynamics Studies of Graphite Exfoliation Using Supercritical CO2

Chapter 7 Functionalized Graphene and Cobalt Phthalocyanine Based Materials with Potential Use for Electrical Conduction

Chapter 8 Computational Nanochemistry Report of the Molecular Structure, Properties and Chemical Reactivity of Pheophorbide A

Chapter 9 The Local Ionization Energy as a Guide to Site Reactivities on Graphenes

Chapter 10 Moiré Patterns Observed in Bi Layer Graphene Irradiated with High Energetic Protons