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From the perspectives of theory and experiment, this book introduces several different micro/nanostructure materials, including the Mg-based alloy materials, carbon nanotubes and graphene-based materials, micro-crystals, nanostructured Al-SiC composites, optomechanical systems, compound containing functional groups, and biologically active diazoles. Using this book, readers will be able to understand, derive, and confidently implement the relevant phenomena in other complex micro/nanostructures that have not been investigated by traditional methods. Dozens of figures and diagrams throughout this book enhance the understandability through visualization of experimental techniques and computational procedures. Meanwhile, the extensive references and detailed index allow for the further exploration of this evolving area. This book provides a comprehensive treatment of the subject for graduates and researchers within material science, quantum chemistry, as well as atomic, molecular and solid-state physics.