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Computational Studies
The book covers a diverse range of topics based on computational studies, including modeling and simulations based on quantum chemical studies and molecular dynamics (MD) simulations. It contains quantum chemical studies on several molecules, including biologically relevant molecules and liquid crystals and various aspects of superatomic clusters including superalkalis and superhalogens. It gives an overview of MD simulations and their applications on biomolecular systems such as HIV-1 protease and integrase. Features: Includes first principle methods, density functional theory, as well as molecular dynamics simulations. Explores quantum chemical studies on several molecules. Gives readers an overview of the power of computation. Discusses superatomic clusters, superalkalis, and superhalogens. Covers themes from molecules, clusters, materials, as well as biophysical systems. This book is aimed at researchers and graduate students in materials science and computational and theoretical chemistry.
Density Functional Theory
Density Functional Theory (or DFT for short) is a potent methodology useful for calculating and understanding the molecular and electronic structure of atoms, molecules, clusters, and solids. Its use relies not only in the ability to calculate the molecular properties of the species of interest but also provides interesting concepts that allow a better comprehension of the chemical reactivity of the studied systems. This book represents an attempt to present examples on the utility of DFT for the understanding of the chemical reactivity through descriptors that constitute the basis of the so called Conceptual DFT (sometimes also named as Chemical Reactivity Theory) as well as the application of the theory and its related computational procedures in the determination of the molecular properties of different systems of academic and industrial interest.
Superhalogens and Superalkalis
Superhalogens and Superalkalis is a comprehensive volume designed as the go-to resource on the exciting and evolving topics of these special classes of atomic clusters and the acid salt that results from their interactions. The book details how these substances possess not only unusual structures but also unique properties which can be exploited for various applications. Superhalogens’ strong oxidizing capacity, resulting from their high-electron affinity, leads to their applications in the design of superacids, organic superconductors, and ionic liquids. The low ionization energy of superalkalis enables them to act as strong reducing agents, making them useful in the design of superbases ...
Recent Progress in Organometallic Chemistry
The book Recent Progress in Organometallic Chemistry mostly reviews the modem techniques and substantial organometallic and medical applications of inorganic materials. Chapters of this book are invited and contributed from the experts throughout the world from prominent researchers and scientists in the field of inorganic chemistry on organometallics and metallocenes. Each chapter provides technical and methodological details beyond the level found in typical journal articles or reviews and explores the application of organometallics, medicinal, inorganic, and catalysis to a significant problem in medical and catalysis, also providing a prospectus for the future. This book compiles with the...
Nanostructured Solar Cells
Nanostructured solar cells are very important in renewable energy sector as well as in environmental aspects, because it is environment friendly. The nano-grating structures (such as triangular or conical shaped) have a gradual change in refractive index which acts as a multilayer antireflective coating that is leading to reduced light reflection losses over broadband ranges of wavelength and angle of incidence. There are different types of losses in solar cells that always reduce the conversion efficiency, but the light reflection loss is the most important factor that decreases the conversion efficiency of solar cells significantly. The antireflective coating is an optical coating which is applied to the surface of lenses or any optical devices to reduce the light reflection losses. This coating assists for the light trapping capturing capacity or improves the efficiency of optical devices, such as lenses or solar cells. Hence, the multilayer antireflective coatings can reduce the light reflection losses and increases the conversion efficiency of nanostructured solar cells.
Drug Repurposing
This book focuses on various aspects and applications of drug repurposing, the understanding of which is important for treating diseases. Due to the high costs and time associated with the new drug discovery process, the inclination toward drug repurposing is increasing for common as well as rare diseases. A major focus of this book is understanding the role of drug repurposing to develop drugs for infectious diseases, including antivirals, antibacterial and anticancer drugs, as well as immunotherapeutics.
Green Electronics
The Green Electronics book is intended to stimulate people's thinking toward the new concepts of an environment-friendly electronics - the main challenge in the future. The book offers multiple solutions to push the classical electronic industry toward green concepts, aided by nanotechnologies, with revolutionary features that provide low power consumption in electronics, use biomaterials for integrated structures, and include environmental monitoring tools. Based on organic semiconductors/insulators without toxic precursors, green electronic technologies launched promising devices like OLED, OTFT, or nano-core-shell transistors. The Green Electronics book successfully presents the recent directions collected worldwide and leaves free space for continuing year by year with new subtopics.
Optoelectronics
Optoelectronics - Advanced Device Structures (Book IV) is following the Optoelectronics (Books I, II, and III) published in 2011, 2013, and 2015, as part of the InTech collection of international works on optoelectronics. Accordingly, as with the first three books of the collection, this book covers recent achievements by specialists around the world. The growing number of countries participating in this endeavor as well as joint participation of the US and Moldova scientists in edition of this book testifies to the unifying effect of science. An interested reader will find in the book the description of properties and applications employing organic and inorganic materials, as well as the methods of fabrication and analysis of operation and regions of application of modern optoelectronic devices.
