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Books in Physical and theoretical chemistry

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    • Introduction to Computational Chemistry

      • 1st Edition
      • January 1, 2026
      • John M. Galbraith + 1 more
      • English
      • Paperback
        9 7 8 0 4 4 3 2 9 9 2 1 6
      • eBook
        9 7 8 0 4 4 3 2 9 9 2 2 3
      Introduction to Computational Chemistry: Methods and Applications provides a foundational, introductory overview of this critical and important field designed to give students a clear and supportive pathway. It is intended to be a non-mathematics heavy introduction to the methods used in computational chemistry, together with information about how HPC-style computers are set up and utilized for performing calculations. It also provides novel insight into the computational chemist mentality: sometimes, the way computational chemists operate can seem strange to someone not yet immersed in the field. The book starts with a basic discussion of computer functionality through operating systems, system administration, and programming followed by a look at the key computational methods for electronic structure methods and molecular mechanics, hybrid methods, and solid-state materials. For each subject, essential non-mathematical information is first provided so that the reader can immediately begin to effectively use computational chemistry software. This introductory material is followed by a section that provides more theoretical information and then references for the reader wishing to go much deeper. Often this type of book overloads the reader with too much information; this one is set up in such a way as to quickly present essential information regarding the fundamental approaches and applications of computational chemistry to beginners in a down to earth and uncluttered manner, while providing the means and resources for more advanced readers to explore further. Introduction to Computational Chemistry: Methods and Applications is written primarily for upper level undergraduate and entry level graduate students completely new to the field of computational chemistry, with little background knowledge; the book is well suited to entry level courses at this level.

    • Introduction to the Mechanochemistry of Solids

      • 1st Edition
      • March 1, 2026
      • Adam A.L. Michalchuk + 2 more
      • English
      • Paperback
        9 7 8 0 4 4 3 2 9 9 9 5 7
      • eBook
        9 7 8 0 4 4 3 2 9 9 9 6 4
      Mechanochemistry is being heralded as a transformation for green and sustainable chemistry by allowing materials and molecules to be synthesized without need for solvent and both more quickly and in higher yields than conventional solution methods. The continued development of mechanochemistry therefore promises to revolutionize the chemical industry and help to tackle global environmental challenges. The potential applications of mechanochemistry are growing rapidly, catalyzed by the growing diversity of scientists entering the field. Therefore, it is crucial to give newcomers to the field a clear overview of the key features of mechanochemistry, many of which seemingly contradict the conventional rules of chemistry. Introduction to the Mechanochemistry of Solids provides an outline of the fundamental principles of mechanochemistry in relation to solid-state reactivity as much-needed point of introduction to the field, allowing readers to achieve a better understanding of the processes that take place in a mechanoreactor during and after mechanical action. The book tackles the following key questions:How and why can mechanical treatment help when solution chemistry fails?Why might different sample preparation be important for the outcome of mechanical treatment?Why does treatment in different devices and/or different protocols of mechanical treatment give different results?When and why does adding fluids matter?How can we know what happens in a mechanochemical reactor at the moment of treatment?Introducti... to the Mechanochemistry of Solids will help expedite the further development of mechanochemistry and achieve the full potential of this transformative technology in the modern world. It is written primarily for advanced undergraduate/early graduate level students and researchers with interest in solid-state chemistry, materials science, sustainable/green chemistry, solid state physics, or applications of solid-state reactivity to industry such as the pharmaceutical and chemical sectors. It provides a much-needed resource for advanced-level courses on the mechanochemistry of solids.

    • Introduction to Analytical Voltammetry

      • 1st Edition
      • April 1, 2026
      • Robert Crapnell + 2 more
      • English
      • Paperback
        9 7 8 0 4 4 3 3 6 6 1 1 6
      • eBook
        9 7 8 0 4 4 3 3 6 6 1 2 3
      Introduction to Analytical Voltammetry: From the Fundamentals to the State-of-the-Art provides a comprehensive overview and introduction to both the fundamental background and applied, advanced topics in voltammetry applied to use in analytical chemistry. The book begins with the basics including equilibrium electrochemistry, Nernst Equation, electrode kinetics, and cyclic voltammetry, covering the interaction at the electrode interface, as well as how to interpret this data effectively. It proceeds to detail the different aspects of electroanalytical methodology including various voltammetric (stripping, pulse etc.) and amperometric techniques with detailed treatments of electrochemical sensors used for the sensing in diverse fields. Subsequent chapters then introduce the state-of-the-art in electroanalytical voltammetry with emphasis on 2D material electrochemistry, forensic electrochemistry, sonoelectroanalysis, wearable technology, gas sensors, environmental science, biosensors, circular economy electrochemistry and additive manufacturing electrochemistry. Also featured is a timely chapter looking at the potential for AI and machine learning techniques for analytical voltammetry. The book is written primarily for advanced undergraduate or graduate students and their tutors in chemistry who need to understand how voltammetric techniques are utilized for the study of electrochemical systems and the development of analytical methods. They may be doing research in fields of electrochemistry applications, analytical chemistry, electroanalytical chemistry, and sensors. It may also be of interest to those in the adjacent fields of physics, materials science, environmental or pharmaceutical sciences where the techniques can be applied.

    • Introduction to Supercritical Fluids

      • 2nd Edition
      • March 1, 2026
      • Richard L. Smith + 2 more
      • English
      • Paperback
        9 7 8 0 4 4 3 1 3 7 4 3 3
      • eBook
        9 7 8 0 4 4 3 1 3 7 4 4 0
      Introduction to Supercritical Fluids: A Spreadsheet-Based Approach, Second Edition provides an accessible overview of elementary supercritical fluid processes (including extraction, particle formation, heat exchangers, phase equilibrium, chemical reaction equilibrium) supported by easy-to-use Excel spreadsheets suitable for both specialized-discipli... (chemistry or chemical engineering student) and mixed-discipline (engineering/economi... student) classes. Each chapter contains worked examples, tip boxes and end-of-the-chapter problems and projects. Part I covers web-based chemical information resources, applications and simplified theory presented in a way that allows students of all disciplines to delve into the properties of supercritical fluids and to design energy, extraction and materials formation systems for real-world processes that use supercritical water or supercritical carbon dioxide. P Part II takes a practical approach and addresses the thermodynamic framework, equations of state, fluid phase equilibria, heat and mass transfer (newly added), chemical equilibria and also reaction kinetics (newly added) of supercritical fluids. Spreadsheets are arranged as Visual Basic for Applications (VBA) functions and macros that are completely (source code) accessible for students who have interest in developing their own programs. Programming is not required to solve problems or to complete projects in the text. Introduction to Supercritical Fluids, Second Edition is written primarily for graduate students and researchers in chemistry, chemical engineering, and materials science.

    • Computational Chemistry for Experimentalists

      • 1st Edition
      • March 1, 2026
      • Benjamin G. Janesko
      • English
      • Paperback
        9 7 8 0 4 4 3 3 4 2 1 1 0
      • eBook
        9 7 8 0 4 4 3 3 4 2 1 2 7
      Computational chemistry is becoming an essential component of the experimental chemist’s toolkit. Computational simulations are now routinely included in experimental reports of reaction mechanisms, catalysis, NMR structure assignments, photochemistry emission, and more. Chemists at a broad range of institutions can now access high-performance computing hardware and open source and commercial software. Because of this, training is the most significant barrier to broad adoption of computational chemistry. While there are many very good training resources available to computational chemistry specialists, few resources support the nonspecialist. Computational Chemistry for Experimentalists: A Nonspecialist's Guide to Practical and Predictive Simulations is designed to lower this barrier. The text builds on the core chemical concepts of molecular structure, bonding, hybridization, and reactivity, transforming this core knowledge into a working knowledge of computational chemistry. These concepts are familiar to all chemists regardless of specialization. A modular structure is utilized to aid understanding; six core modules provide the basics of electronic structure theory and molecular dynamics. Ten experimental modules give details on simulating specific experimental techniques of interest to specific readers: reaction mechanisms, proton NMR, UV/vis, band structures, XPS, organometallic chemistry, and more. Each module is paired with online video tutorials, demonstrating the basic ideas using specific open-source & commercial software packages. Continued updating of these video tutorials provides a rich source of real-world-hands-on training materials complementing the text. The book provides straightforward, project-based introductions to computational chemistry, designed to build on the core chemical concepts shared by the target audience, aim to be a valuable contribution to the chemical literature. This book is written for chemists with a good grounding in organic and general chemistry who are at emerging research institutions and small and medium-sized businesses and seeking to incorporate computation into their research but whom are not primarily computational chemists. This includes mid-career chemistry professionals, as well as research teams including undergraduate, graduate, and early-career chemists.

    • Handbook of Electronic Structure Theory

      • 1st Edition
      • March 1, 2026
      • Majdi Hochlaf + 1 more
      • English
      • Paperback
        9 7 8 0 4 4 3 2 6 5 9 6 9
      • eBook
        9 7 8 0 4 4 3 2 6 5 9 7 6
      Handbook of Electronic Structure Theory provides a much-needed learning resource that collects and demonstrates the various key methods involved in electronic structure theory, the feasibility and reliability of electronic structure calculations and their applications using computational chemistry, with a particular focus on the most modern and recent problems which are poorly covered in existing, largely outdated book literature. This handbook is designed with early career researcher learning in mind by aiming to provide a careful, structured, coherent, measured, and incremental presentation of the subject matter as well as appropriate problems and worked tutorial examples. Elements like summary boxes, worked examples, and downloadable data sets make this a holistic guide to the topic for learners from different backgrounds who require a deeper understanding of electronic structure theory.Part I one of the book focuses on the critical core theories, before Part II moves on to some of the most important recent developments and their potential future directions, including key topics such as the electronic excited states and the harnessing of machine learning. Finally, Part III then collects a range of key case study examples of applications such as for biomolecules, in spectroscopy, or for use in catalysis amongst others.Handbook of Electronic Structure Theory is written primarily for masters, PhD, and postdoctoral students in theoretical and computational chemistry as well as experimental researchers wishing to apply quantum chemical methods in a critical way. The book will also have significant relevance to those studying and teaching in the adjacent fields of computational physics, materials science, and astrochemistry, who are making use of electronic structure methods. It is also likely to be of interest to chemists working on designing new materials and compounds targeting industrial and environmental applications such as catalysis, energy harvesting or green chemistry.

    • Handbook of Astrochemistry

      • 1st Edition
      • October 1, 2026
      • Wendy A. Brown + 2 more
      • English
      • Paperback
        9 7 8 0 3 2 3 9 9 9 8 3 0
      • eBook
        9 7 8 0 3 2 3 9 8 4 8 0 5
      Handbook of Astrochemistry provides a comprehensive overview of astrochemistry as a series of tutorial reviews by leading experts on all experimental, theoretical, computational, and astronomical aspects of this field. Starting from an overview of the observational molecular Universe, it then moves on to describe the state-of-the-art knowledge in the fields of gas-phase and solid-phase laboratory and computational astrochemistry; its use in astrochemical modelling; and finally how observations of molecules shape our understanding of how stars and planets form and of the chemical origins of biology.Combining the knowledge and experience of an international team of experts, this book is an authoritative, accessible guide for all those working in related fields.

    • Structural Biology of Amyloid Fibrils

      • 1st Edition
      • March 1, 2026
      • Vijay Kumar + 1 more
      • English
      • Paperback
        9 7 8 0 3 2 3 9 5 6 3 8 3
      • eBook
        9 7 8 0 3 2 3 9 5 6 3 9 0
      Structural Biology of Amyloid Fibrils is a comprehensive reference on the structure of protein aggregates in different neurodegenerative diseases and their molecular bases. Chapters describe these structures in detail, highlighting their similarities and differences across different disease states, alongside an unprecedented overview of current developments and new hypotheses emerging in amyloid fibril structure, stability and mechanisms of formation. This volume also discusses how amyloid structure may affect the ability of fibrils to spread to different sites in a prion-like manner, as well as their role in disease. Featuring chapters on NMR, X-ray crystallography, and Cryo-EM methods, and discussing the structure of amyloid fibrils obtained directly from patients, the book allows readers to understand how polymorphism is associated with disease phenotype and how fibril structure affects and influences the cellular environment. Understanding the molecular architecture of amyloid fibrils and oligomers will be an important step towards developing therapeutic interventions based on targeting the fibrils and oligomers themselves, or the processes that generate them.

    • Hungarian Quantum Chemistry: Part A - Early and Recent History

      • 1st Edition
      • Volume 93
      • January 1, 2026
      • English
      • Hardback
        9 7 8 0 4 4 3 3 4 4 3 7 4
      • eBook
        9 7 8 0 4 4 3 3 4 4 3 8 1
      Hungarian Quantum Chemistry: Part A – Early and Recent History, Volume 93 in the Advances in Quantum Chemistry series, highlights the historical and contemporary contributions of scientists to the field of molecular electronic structure theory. This volume offers a curated collection of chapters detailing the pioneering developments, influential researchers, and academic institutions that shaped quantum chemistry in Hungary and beyond. From foundational theoretical work to advancements in applications across chemistry and biology, the volume provides both scholarly reflection and technical insight into decades of quantum chemical innovation. It also showcases the ongoing legacy of Hungarian quantum chemists through personal narratives, historical retrospectives, and institutional profiles.

    • Advances in Ferric Oxide- and Zinc Oxide-Based Photocatalysis

      • 1st Edition
      • March 1, 2026
      • Athira Krishnan + 5 more
      • English
      • Paperback
        9 7 8 0 4 4 3 3 3 7 0 8 6
      • eBook
        9 7 8 0 4 4 3 3 3 7 0 9 3
      In this book, the authors integrate both the fundamentals and the most recent studies on ferric oxide- and zinc oxide-based photocatalysis in a structured and systematic fashion. Emphasis is given to the basics of the structure and properties of the selected photocatalysts. Advances in Ferric Oxide- and Zinc Oxide-Based Photocatalysis will prove particularly helpful for researchers in situations where the potential of ferric oxide and zinc oxide is yet to be established, as it will illuminate how these oxides can be utilized in a range of different applications and situations. Studies on photocatalysis for different applications provide clear evidence for the importance and role of ferric oxide and zinc oxide, materials that are now receiving significant attention for various photocatalytic applications due to their activity, availability, and stability. This book fills a gap in the literature by focusing exclusively on ferric oxide and zinc oxide, allowing a full consideration of the importance of the materials, their mechanisms of action, and the future scope for further investigation.

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