The fabrication and characterization of molecular architectures is now a major area of interest of contemporary chemistry. Research efforts in the fabrication of molecular architectures of novel properties have yielded substantial results in many areas. Certain molecular structures with interesting properties can now be converted into new functional constructs of desired shapes and forms. However, the unique properties, and consequently, the potential applications of some of these new molecular architectures are not fully known. Polyyne molecules represent an interesting model as functional molecular units, which can be converted into new functional constructs that can find applications in a high technology industry. Computational approach was used to model the mechanical and electronic properties of these molecules so that we can gain a good understanding of these properties on the atomic scale. The calculations revealed the intrinsic properties of these molecules, which are presented in the context of potential applications. The fabrication and spectroscopic characterization of gold-bound single-stranded oligonucleotides is also demonstrated in this book. Researchers in the fields of nanotechnology, materials science, molecular electronics, biochemical sensing, gene mapping, molecular recognition and medical diagnostics should find the book useful.