Chemoinformatics is a scientific area that endeavours to study and solve complex chemical problems using computational techniques and methods. The collection of topics in this book aims to reflect the diversity of recent advances in chemoinformatics with a broad perspective which may be useful for scientists as well as for graduate students and engineers. This book presents leading-edge research from around the world in this dynamic field. Advanced Methods and Applications in Chemoinformatics: Research Methods and New Applications provides innovative chapters on the growth of educational, scientific, and industrial research activities among chemists and chemical engineers and provides a medium for mutual communication between international academia and the industry. This book contains significant research reporting new methodologies and important applications in the fields of chemical informatics as well as the latest coverage of chemical databases and the development of new computational methods and efficient algorithms for chemical software and chemical engineering.

This volume demonstrates the unique place in nanotechnology and nanoscience that carbon nanomaterials occupy owing to their exceptional chemical, mechanical, thermal, and electrical properties. Carbon nanomaterials have diverse applications in super strong composite materials, smart sensors, energy storage and conversion, super-capacitors, and more. Focusing on materials rather than mechanics, this volume discusses the key roles of materials science and engineering in the development of composite materials. The result of research by many highly qualified experts in the field of experimental and theoretical research on graphene and its derivatives, the volume describes experimental methods for obtaining and characterizing samples of chemically modified graphene. It reviews the potential application areas and modifications of graphene-based composite materials and interprets the interesting physical effects discovered for the first time for graphene materials under consideration. This book covers the innovative methodologies and strategies adopted in carbon materials research area including: Synthesis, characterization, and functionalization of carbon nanotubes and graphene Surface modification of graphene Carbon-based nanostructured materials The use of carbon nanomaterials for energy applications Development of carbon nanotubes reinforced metal matrix composites and non-metallic composites and their myriad potential end-use applications Key challenges to the successful and widespread implementation of carbon nanotubes reinforced metal matrix composites and non-metallic composites Methods for quantification and improved control of carbon nanotubes distributions Recent research and design trends for carbon nanomaterials-based sensors for a variety of applications Advances and potential applications in environmental monitoring and healthcare The book will be useful for postgraduate students and researchers as well as for experts in industrial sectors. It will also appeal to those involved in materials science and nanotechnology.

The budding field of nanotechnology offers enormous potential for advances in medical science, engineering, transportation, computers, and many other industries. As this growing field solidifies, these technological advances may soon become a reality. Nanoscience and Advancing Computational Methods in Chemistry: Research Progress provides innovative chapters covering the growth of educational, scientific, and industrial research activities among chemical engineers and provides a medium for mutual communication between international academia and the industry. This book publishes significant research reporting new methodologies and important applications in the fields of chemical informatics and discusses latest coverage of chemical databases and the development of new experimental methods.

This book provides innovative chapters covering new methodologies and important applications in the fields of nanoscience and computational chemistry. The book offers scope for academics, researchers, and engineering professionals to present their research and development works that have potential for applications in several disciplines of nano and computational chemistry. Contributions range from new methods to novel applications of existing methods to help readers gain an understanding of the material and/or structural behavior of new and advanced systems. This book is a high quality tool for researchers, providing an overview of the field, explaining the basic underlying theory at a meaningful level, and giving numerous comparisons of different methods.

This book covers a range of new research on computational quantum chemistry, along with a special section devoted to exotic carbon allotropes and spiro quantum theory. The section on spiro quantum theory covers the technical presentation of the ideas surrounding the emergence of a synthetic, analytical, and theoretical spiro quantum chemistry edifice, as well as a chemical topology scheme that successfully describes molecules and patterns, including the hydrocarbons and allotropes of carbon. The second part of the book covers a range of new research on computational quantum chemistry.

Technical and technological development demands the creation of new materials that are stronger, more reliable, and more durable-materials with new properties. This book skillfully blends and integrates polymer science, plastic technology, and rubber technology to highlight new developments and trends in advanced polyblends. The fundamentals of polymerization, polymer characteristics, rheology and morphology, as well as composition, technology, testing and evaluation of various plastics, rubbers, fibers, adhesives, coatings, and composites are comprehensively presented in this informative volume. The book presents the developments of advanced polyblends and the respective tools to characterize and predict the material properties and behavior. It provides important original and theoretical experimental results that use non-routine methodologies often unfamiliar to many readers. Furthermore chapters on novel applications of more familiar experimental techniques and analyses of composite problems are included, which indicate the need for the new experimental approaches that are presented. This new book: * Provides an up-to-date and thorough exposition of the present state of the art of polyblends and composites * Familiarizes the reader with new aspects of the techniques used in the examination of polymers, emphasizing plastic technology and rubber technology * Describes the types of techniques now available to the polymer chemist and technician and discusses their capabilities, limitations, and applications * Provides a balance between materials science and the mechanics aspects, basic and applied research, and high-technology and high-volume (low-cost) composite development Entrepreneurs and professionals engaged in production of as well as research and development in polymers will find the information presented here valuable and informative.

Applied Chemistry and Chemical Engineering, Volume 4: Experimental Techniques and Methodical Developments provides a detailed yet easy-to-follow treatment of various techniques useful for characterizing the structure and properties of engineering materials. This timely volume provides an overview of new methods and presents experimental research in applied chemistry using modern approaches. Each chapter describes the principle of the respective method as well as the detailed procedures of experiments with examples of actual applications and then goes on to demonstrate the advantage and disadvantages of each physical technique. Thus, readers will be able to apply the concepts as described in the book to their own experiments. The book is broken into several subsections: Polymer Chemistry and Technology Computational Approaches Clinical Chemistry and Bioinformatics Special Topics This volume presents research and reviews and information on implementing and sustaining interdisciplinary studies in science, technology, engineering, and mathematics.

Spiro Quantum Chemistry is a popular as well as technical presentation of the ideas surrounding the emergence of a synthetic, analytical, and theoretical spiro quantum chemistry edifice, as well as a chemical topology scheme that successfully describes molecules and patterns, including the hydrocarbons and allotropes of carbon. In particular, the purpose of this book is to describe the generalization and realization of the organic chemistry concept of spiroconjugation into 1-, 2- and 3-dimensions. The book is divided into three parts: The first part describes spiroconjugation and presents a C lattice that exhibits the spiroconjugation phenomena in fully 3-dimensions. It also described the corresponding 1-dimensional substructures of this lattice that exhibit spiroconjugation delocalized in 1-D. The second part presents experimental evidence for the synthetic realization of this so-called glitter allotrope of C that is spiroconjugated in 3-D, and present evidence why this synthetically realized C allotrope has a metallic status. The third part describes the chemical topology of the glitter C allotrope and of the other commonly known allotropes of C.This chemical topology enables one to map the C allotropes, including glitter, in a topology space allowing one to classify them. This unique book provides insights into the potential richness of organic chemistry in terms of a source of a metallic allotrope of C. The reader will learn to appreciate the generalization of the spiroconjugation phenomenon in 1-D, 2-D, and 3D as a concept in organic chemistry.

This book provides innovative chapters covering new methodologies and important applications in the fields of nanoscience and computational chemistry. The book offers scope for academics, researchers, and engineering professionals to present their research and development works that have potential for applications in several disciplines of nano and computational chemistry.

Contributions range from new methods to novel applications of existing methods to help readers gain an understanding of the material and/or structural behavior of new and advanced systems. This book is a high quality tool for researchers, providing an overview of the field, explaining the basic underlying theory at a meaningful level, and giving numerous comparisons of different methods.

The book provides a general, broad approach to aspects of perturbation theory. The aim has been to cover all topics of interest, from construction, analysis, and summation of perturbation series to applications. Emphasis is placed on simple methods, as well as clear, intuitive ideas stemming from the physics of systems of interest.

Technical and technological development demands the creation of new materials that are stronger, more reliable, and more durable-materials with new properties. This book skillfully blends and integrates polymer science, plastic technology, and rubber technology to highlight new developments and trends in advanced polyblends. The fundamentals of polymerization, polymer characteristics, rheology and morphology, as well as composition, technology, testing and evaluation of various plastics, rubbers, fibers, adhesives, coatings, and composites are comprehensively presented in this informative volume. The book presents the developments of advanced polyblends and the respective tools to characterize and predict the material properties and behavior. It provides important original and theoretical experimental results that use non-routine methodologies often unfamiliar to many readers. Furthermore chapters on novel applications of more familiar experimental techniques and analyses of composite problems are included, which indicate the need for the new experimental approaches that are presented. This new book: * Provides an up-to-date and thorough exposition of the present state of the art of polyblends and composites * Familiarizes the reader with new aspects of the techniques used in the examination of polymers, emphasizing plastic technology and rubber technology * Describes the types of techniques now available to the polymer chemist and technician and discusses their capabilities, limitations, and applications * Provides a balance between materials science and the mechanics aspects, basic and applied research, and high-technology and high-volume (low-cost) composite development Entrepreneurs and professionals engaged in production of as well as research and development in polymers will find the information presented here valuable and informative.

Applied Chemistry and Chemical Engineering, Volume 4: Experimental Techniques and Methodical Developments provides a detailed yet easy-to-follow treatment of various techniques useful for characterizing the structure and properties of engineering materials. This timely volume provides an overview of new methods and presents experimental research in applied chemistry using modern approaches. Each chapter describes the principle of the respective method as well as the detailed procedures of experiments with examples of actual applications and then goes on to demonstrate the advantage and disadvantages of each physical technique. Thus, readers will be able to apply the concepts as described in the book to their own experiments. The book is broken into several subsections: Polymer Chemistry and Technology Computational Approaches Clinical Chemistry and Bioinformatics Special Topics This volume presents research and reviews and information on implementing and sustaining interdisciplinary studies in science, technology, engineering, and mathematics.