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Books in Physical and theoretical chemistry

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21-30 of 555 results in All results

Understanding Molecular Simulation

  • 3rd Edition
  • July 13, 2023
  • Daan Frenkel + 1 more
  • English
  • Paperback
    9 7 8 - 0 - 3 2 3 - 9 0 2 9 2 - 2
  • eBook
    9 7 8 - 0 - 3 2 3 - 9 1 3 1 8 - 8
Understanding Molecular Simulation explains molecular simulation from a chemical-physics and statistical-mechanics perspective. It highlights how physical concepts are used to develop better algorithms and expand the range of applicability of simulations. Understanding Molecular Simulation is equally relevant for those who develop new code and those who use existing packages. Both groups are continuously confronted with the question of which computational technique best suits a given application. Understanding Molecular Simulation provides readers with the foundational knowledge they need to learn about, select and apply the most appropriate of these tools to their own work. The implementation of simulation methods is illustrated in pseudocodes, and their practical use is shown via case studies presented throughout the text. Since the second edition’s publication, the simulation world has expanded significantly: existing techniques have continued to develop, and new ones have emerged, opening up novel application areas. This new edition aims to describe these new developments without becoming exhaustive; examples are included that highlight current uses, and several new examples have been added to illustrate recent applications. Examples, case studies, questions, and downloadable algorithms are also included to support learning. No prior knowledge of computer simulation is assumed.

Ionic Liquids and Their Application in Green Chemistry

  • 1st Edition
  • July 1, 2023
  • Jamal Akhter Siddique + 2 more
  • English
  • Paperback
    9 7 8 - 0 - 3 2 3 - 9 5 9 3 1 - 5
  • eBook
    9 7 8 - 0 - 3 2 3 - 9 5 9 3 2 - 2
Ionic liquids and Their Application in Green Chemistry covers the synthesis and characterization of a broad range of ionic liquids (ILs) and their polymers, along with their application in multiple areas for nanomaterials and environmental sustainability. The book provides reference material for future research in IL-based technologies for environmental and energy applications. It covers not only the conventional IL applications. but also advanced IL polymer-based materials and their application in energy storage and energy generator applications. Finally, the book discusses the major fields of application of IL-based materials in synthesis of nanomaterials and the role in graphene synthesis and its composites. Written by eminent scholars and leading experts from around the world, this book brings the literature up to date on the most recent progress in the field of IL based materials and their applications for the environmental sustainability.

Photochemistry and Photophysics of Coordination Compounds

  • 1st Edition
  • June 24, 2023
  • Rakshit Ameta + 4 more
  • English
  • Paperback
    9 7 8 - 0 - 1 2 - 8 2 4 4 9 3 - 7
  • eBook
    9 7 8 - 0 - 3 2 3 - 8 5 9 0 2 - 8
Photochemistry and Photophysics of Coordination Compounds: Fundamentals and Applications provides a systematic overview of the photochemical and photophysical properties of coordination compounds with different metal cores. Beginning with a clear introduction to the fundamentals of both photochemistry and coordination chemistry, the book goes on to outline the photochemical and photophysical properties of a large range of coordination compounds, clustering metal cores together in chapters according to their period table group, ranging across Transition metals, Lanthanides and Actinides. In addition to outlining their properties, each chapter discusses the synthesis, current applications and future potential of coordination compounds in each group.Drawing on the experience of a global team of experts, this book is an authoritative guide for all those interested in understanding and harnessing the photochemical properties and potential applications of coordination complexes for their own work.

Chemical Thermodynamics and Statistical Aspects

  • 1st Edition
  • June 22, 2023
  • Joseph J. Stephanos + 1 more
  • English
  • Paperback
    9 7 8 - 0 - 4 4 3 - 1 5 2 9 5 - 5
  • eBook
    9 7 8 - 0 - 4 4 3 - 1 5 2 9 6 - 2
Chemical Thermodynamics and Statistical Aspects: Questions to Ask in Fundamentals and Principles covers a full range of topics in macroscopic and statistical thermodynamics. Every step in the book is compiled with sharp and precise attention to detail. Derivations cover fundamental relationships and reinforce and extend the knowledge gained form an earlier exposure to thermodynamics. The book is filled with all kinds of physics processes, a variety of quantum mechanics, and calculus problems involving timely mathematical functions. Special emphases is given to fundamental concepts and their chemical interpretations, which are essential to understanding molecular formation and reaction mechanism. This book will be a useful reference source for undergraduates and postgraduates taking courses in chemistry, students in chemical engineering, and those in the materials sciences. It will also be of value to research workers who would like an introduction to the essential principles of physical chemistry.

Handbook on the Physics and Chemistry of Rare Earths

  • 1st Edition
  • Volume 63
  • June 10, 2023
  • Jean-Claude G. Bunzli + 1 more
  • English
  • Hardback
    9 7 8 - 0 - 4 4 3 - 1 3 7 0 7 - 5
  • eBook
    9 7 8 - 0 - 4 4 3 - 1 3 7 0 8 - 2
Handbook on the Physics and Chemistry of Rare Earths: Including Actinides, Volume 63, the latest release in this continuous series that covers all aspects of rare earth science, including chemistry, life sciences, materials science and physics, presents interesting chapters on a variety of topics, with this release including sections on Rare earth permanent magnets, Biological functions of the trivalent rare earths and actinides, Recent Advances in f-Block Metal-Metal Bonds: Structure, Reactivity and Applications, Exotic rare earth-based materials for emerging spintronic technology, and more.

Dynamic Processes in Solids

  • 1st Edition
  • May 26, 2023
  • James E. House
  • English
  • Paperback
    9 7 8 - 0 - 1 2 - 8 1 8 8 7 6 - 7
  • eBook
    9 7 8 - 0 - 1 2 - 8 1 8 8 7 9 - 8
The results obtained from kinetic studies on reactions in solids often depend on numerous factors. Therefore, it is important for researchers to understand how both chemical factors related to composition and procedural choices may influence outcomes. Dynamic Processes in Solids provides an authoritative overview of reactions in solids and helps readers interpret the results obtained from kinetic studies. In chapters written by active researchers, the reader will learn about choosing appropriate experimental techniques and their limitations for studying various types of reactions. Beginning with an introduction to numerous aspects of rate processes in solids and experimental techniques, information is provided on rate laws, factors affecting rates, diffusion, and sintering. Subsequent chapters deal with electrical conductivity in dispersed phase polymers, thermochemical reactions for producing solid materials, reactions in coordination compounds, dynamic observations on plastic deformation, light driven phenomena in quantum materials, decomposition of perovskite photovoltaic compounds, and reaction of oxygen radicals with surfaces. This book is a practical introduction to the field for chemists and researchers whose work is directly related to dynamic changes in solids, and additionally for those in related fields whose work would be enhanced by an understanding of these types of rate processes.

Chemical Reactivity

  • 1st Edition
  • May 15, 2023
  • SavaÅŸ Kaya + 3 more
  • English
  • Paperback
    9 7 8 - 0 - 3 2 3 - 9 0 2 5 7 - 1
  • eBook
    9 7 8 - 0 - 3 2 3 - 9 0 6 1 2 - 8
The growth of technology for chemical assessment has led to great developments in the investigation of chemical reactivity in recent years, but key information is often dispersed across many different research fields. Combining both original principles and the cutting-edge theories used in chemical reactivity analysis, Chemical Reactivity, Volume 1 present the latest developments in theoretical chemistry and its application for the assessment of chemical processes.Beginning with an exploration of different theories and principles relating to electronic structure and reactivity of confined electronic systems, the book goes on to highlight key information on such topics as Dyson orbitals, target-ion overlaps, reaction fragility, magnetizability principles and the Fuki function. Density Functional Theory is discussed in relation to numerous different principles and approaches, with further information on constrained methods and diabatic models, bonding evolution theory, orbital-based population analysis models and charge transfer models, and Quantum chemistry and QTAIM.Consolidating the knowledge of a global team of experts in the field, Chemical Reactivity, Volume 1: Theories and Principles is a useful resource for both students and researchers interested in gaining greater understanding of the principles and theories underpinning chemical reactivity analysis.

Chemical Reactivity

  • 1st Edition
  • May 15, 2023
  • SavaÅŸ Kaya + 3 more
  • English
  • Paperback
    9 7 8 - 0 - 3 2 3 - 9 0 2 5 9 - 5
  • eBook
    9 7 8 - 0 - 3 2 3 - 9 0 6 2 8 - 9
The growth of technology for chemical assessment has led to great developments in the investigation of chemical reactivity in recent years, but key information is often dispersed across many different research fields. Exploring both traditional and advanced methods, Chemical Reactivity, Volume 2: Approaches and Applications present the latest approaches and strategies for the computational assessment of chemical reactivity.Following an insightful introduction, the book begins with an overview of conformer searching techniques before progressing to explore numerous different techniques and methods, including confined environments, quantum similarity descriptors, volume-based thermodynamics and polarizability. A unified approach to the rules of aromaticity is followed by methods for assessing interaction energies and the role of electron density for varied different analyses. Algorithms for confirmer searching, partitioning and a whole range of quantum chemical methods are also discussed.Consolidating the knowledge of a global team of experts in the field, Chemical Reactivity, Volume 2: Approaches and Applications is a useful resource for both students and researchers interested in applying and refining their use of the latest approaches for assessing chemical reactivity in their own work.

In-Silico Approaches to Macromolecular Chemistry

  • 1st Edition
  • February 24, 2023
  • Minu Elizabeth Thomas + 3 more
  • English
  • Paperback
    9 7 8 - 0 - 3 2 3 - 9 0 9 9 5 - 2
  • eBook
    9 7 8 - 0 - 3 2 3 - 9 0 9 9 6 - 9
Computational approaches offer researchers unique insights into the structure, characteristics, and properties of macromolecules. However, with applications across a broad range of areas, various methods have been developed for exploring macromolecules in in silico; therefore, it can be difficult for researchers to select the most appropriate method for their specific needs. Covering both biopolymers and synthetic polymers, In-Silico Approaches to Macromolecular Chemistry familiarizes readers with the theoretical tools and software appropriate for such studies. In addition to providing essential background knowledge on both computational tools and macromolecules, the book presents in-depth studies of in silico macromolecule chemistry, discusses and compares these with experimental studies, and highlights the future potential for such approaches. Written by specialists in their respective fields, this book helps students, researchers, and industry professionals gain a clear overview of the field, and furnishes them with the knowledge needed to understand and select the most appropriate tools for conducting and analyzing computational studies.

Combustion Chemistry and the Carbon Neutral Future

  • 1st Edition
  • February 16, 2023
  • Kenneth Brezinsky
  • English
  • Paperback
    9 7 8 - 0 - 3 2 3 - 9 9 2 1 3 - 8
  • eBook
    9 7 8 - 0 - 3 2 3 - 9 9 3 1 0 - 4
As the demands for cleaner, more efficient, reduced and zero carbon emitting transportation increase, the traditional focus of Combustion Chemistry research is stretching and adapting to help provide solutions to these contemporary issues. Combustion Chemistry and the Carbon Neutral Future: What will the Next 25 Years of Research Require? presents a guide to current research in the field and an exploration of possible future steps as we move towards cleaner, greener and reduced carbon combustion chemistry. Beginning with a discussion of engine emissions and soot, the book goes on to discuss a range of alternative fuels, including hydrogen, ammonia, small alcohols and other bio-oxygenates, natural gas, syngas and synthesized hydrocarbon fuels. Methods for predicting and improving efficiency and sustainability, such as low temperature and catalytic combustion, chemical looping, supercritical fluid combustion, and diagnostic monitoring even at high pressure, are then explored. Some novel aspects of biomass derived aviation fuels and combustion synthesis are also covered. Combining the knowledge and experience of an interdisciplinary team of experts in the field, Combustion Chemistry and the Carbon Neutral Future: What will the Next 25 Years of Research Require? is an insightful guide to current and future focus areas for combustion chemistry researchers in line with the transition to greener, cleaner technologies.

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