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Computational and Experimental Chemistry
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.
Predicting the Dynamics of Research Impact
This book provides its readers with an introduction to interesting prediction and science dynamics problems in the field of Science of Science. Prediction focuses on the forecasting of future performance (or impact) of an entity, either a research article or a scientist, and also the prediction of future links in collaboration networks or identifying missing links in citation networks. The single chapters are written in a way that help the reader gain a detailed technical understanding of the corresponding subjects, the strength and weaknesses of the state-of-the-art approaches for each described problem, and the currently open challenges. While chapter 1 provides a useful contribution in th...
Tailored Functional Materials for Clean and Sustainable Development
The use of tailored functional materials has grown enormously in recent years due to their wide-ranging applications in both science and engineering. This new volume explores the tailoring and characterization of modern materials with functional applications and for use in clean technologies in different sectors. The volume explains why the unique features of tailored nanomaterials make them ideal candidates for application in biosensor technology, pathogenic microbe detection, and modification of polyester-based ploymers. It summarizes polymer functionalization and their applications in medical science and engineering and provides an understading of tailored custom-designed solids along with computational chemistry, showing how the fast growth in solid materials has influenced different engineering sectors. With the inclusion of case studies in material science, the volume explains how tailored materials can be prepared and utilized as application-oriented composites.
Differential Equation Based Solutions for Emerging Real-Time Problems
Modeling with differential equations is an effective tool to provide methodical and quantitative solutions to real-world phenomena including investigating measurable features, consolidation and processing of data, and designing and developing complex engineering systems. This book describes differential equations correlation with qualitative and quantitative analysis, and mathematical modeling in the engineering and applied sciences. Given equations are explained from multidimensional characterizations with MATLAB® codes. Features: Addresses differential equation-based approaches to solve varied engineering problems Discusses derivation and solution of major equations of engineering and applied science Reviews qualitative and quantitative (numerical) analysis and mathematical modelling Includes mathematical models of the discussed problems Discusses MATLAB® codes Features: code and online materials related to the differential equations. This book is aimed at researchers graduate students in electrical and electronics engineering, control systems, electron devices society, applied physics, and engineering design.
Computational, Education, and Materials Science Aspects
Chapters collected from “The Virtual Conference on Chemistry and its Applications (VCCA-2021) – Research and Innovations in Chemical Sciences: Paving the Way Forward”. This conference was held in August 2021 and organized by the Computational Chemistry Group of the University of Mauritius. These peer-reviewed chapters offer insights into research on fundamental and applied chemistry with interdisciplinary subject matter.
Electron Density
Discover theoretical, methodological, and applied perspectives on electron density studies and density functional theory Electron density or the single particle density is a 3D function even for a many-electron system. Electron density contains all information regarding the ground state and also about some excited states of an atom or a molecule. All the properties can be written as functionals of electron density, and the energy attains its minimum value for the true density. It has been used as the basis for a quantum chemical computational method called Density Functional Theory, or DFT, which can be used to determine various properties of molecules. DFT brings out a drastic reduction in ...
Crystallizing Ideas – The Role of Chemistry
Twenty-three carefully selected, peer-reviewed contributions from the International Conference on Pure and Applied Chemistry (ICPAC 2014) are featured in this edited book of proceedings. ICPAC 2014, a biennial meeting, was held in Mauritius in June 2014. The theme of the conference was “Crystallizing Ideas: The Role of Chemistry” and it matched the declaration of the year 2014 as the International Year of Crystallography. ICPAC 2014 was attended by 150 participants from 30 countries. The chapters in this book reflect a wide range of fundamental and applied research in chemistry and interdisciplinary subjects. Crystallizing Ideas - The Role of Chemistry is written for graduates, postgraduates, researchers in industry and academia who have an interest in the fields ranging from fundamental to applied chemistry.
Mining Intelligence and Knowledge Exploration
This book constitutes the refereed post-conference proceedings of the 5th International Conference on Mining Intelligence and Knowledge Exploration, MIKE 2017, held in Hyderabad, India, in December 2017. The 40 full papers presented were carefully reviewed and selected from 139 submissions. The papers were grouped into various subtopics including arti ficial intelligence, machine learning, image processing, pattern recognition, speech processing, information retrieval, natural language processing, social network analysis, security, and fuzzy rough sets.
Internet and Network Economics
This volume contains the papers presented at the International Workshop on Internet and Network Economics held during December 17–20, 2008, in Sha- hai, China, for its fourth edition. WINE 2008 provided a forum for researchers from di?erent disciplines to communicate with each other and exchange their researching ?ndings in this emerging ?eld. WINE 2008hadteninvitedspeakers:FanChungGraham,MatthewJackson, Lawrence Lau, Tom Luo, Eric Maskin, Paul Milgrom, Christos Papadimitriou, Herbert Scarf, Hal Varian and Yinyu Ye. There were 126 submissions. Each submission was reviewed on average by 2. 5 Programme Committee members. The Committee decided to accept 68 papers. The programme also included ...
Carbon Composites
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 fo...
