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Books in Physical and theoretical chemistry

Our portfolio covers quantum chemistry, molecular dynamics, spectroscopy, and thermodynamics. Featuring state-of-the-art theoretical models and experimental techniques, these resources support researchers and students in understanding molecular behavior and predicting chemical phenomena. Emphasizing computational advances and interdisciplinary insights, the titles address fundamental questions and innovative applications in energy, materials, and nanotechnology.

  • Handbook of Astrochemistry

    • 1st Edition
    • Wendy A. Brown + 2 more
    • English
    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.

  • Introduction to the Mechanochemistry of Solids

    • 1st Edition
    • Adam A.L. Michalchuk + 2 more
    • English
    Introduction to the Mechanochemistry of Solids offers a thorough exploration of mechanochemistry, a field rapidly reshaping modern chemistry by enabling solvent-free, efficient synthesis of materials. The book serves as a vital resource for those new to solid-state reactivity, presenting foundational theories and practical insights that illuminate how mechanical forces can drive chemical change. Readers are introduced to the complexities of mechanochemical processes, the nuances of device selection, and the impact of sample preparation, providing a solid framework for understanding how physical forces influence chemical transformations in solids.In addition, the book discusses the growing diversity of scientists contributing to mechanochemistry and outlines the transformative potential of this technology for sustainable and green chemistry. It is especially recommended for advanced undergraduate and graduate students as well as researchers in chemistry, materials science, and related fields.

  • Structural Biology of Amyloid Fibrils

    • 1st Edition
    • Vijay Kumar + 1 more
    • English
    Structural Biology of Amyloid Fibrils provides a comprehensive reference on the structure of protein aggregates in different neurodegenerative diseases, along with their molecular bases. Chapters describe these structures in detail, highlighting their similarities and differences across different disease states along with an unprecedented overview of current developments and new hypotheses emerging in amyloid fibril structure, stability and mechanisms of formation. The book 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 and the processes that generate them.

  • Introduction to Analytical Voltammetry

    From the Fundamentals to the State-of-the-Art
    • 1st Edition
    • Robert Crapnell + 2 more
    • English
    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 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 effectively interpret the data. It proceeds to detail the different aspects of electroanalytical methodology, including various voltametric (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 an 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 on 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 voltametric techniques are utilized for the study of electrochemical systems and the development of analytical methods.

  • Elementary Kinetic Modelling in Catalytic Reaction Engineering

    • 1st Edition
    • Joris W. Thybaut + 5 more
    • English
    Elementary Kinetic Modelling in Catalytic Reaction Engineering is a practical focused text that brings together the relevant basics for reaction engineering and shows their applications to a wide variety of examples, whilst looking at the intrinsic kinetics data acquisition, reaction mechanism elucidation, elementary step-based modelling and model-based design and optimization involved.The book aims at spanning the entire process from acquisition of the relevant data in dedicated experimental set-ups, over the proper treatment of the data and the corresponding interpretation up to the quantification of the gained understanding in a model. The latter aspect allows the reader to challenge the interpretation made of the data and design subsequent experiments or improve the interpretation/model formulation. The coverage is not just limited to the generic (theoretical) principles but will also carefully consider and explain their application to a variety of real-life applications including gas- and liquid-phase reactions, heterogeneously catalyzed reactions involving adsorption either in the Henry regime or at full saturation of the catalyst or combined homogeneous-heteroge... reactions.Elementary Kinetic Modelling in Catalytic Reaction Engineering is written primarily for graduate students and postdoc researchers in chemical engineering or applied industrial chemistry studying chemical reaction engineering and catalysis, as well as physical chemists studying kinetics.

  • Chemosensor Arrays

    Fundamental Pattern Recognition, Development and Applications
    • 1st Edition
    • Tsuyoshi Minami + 2 more
    • English
    As demand has increased for innovative methods in simple everyday monitoring, chemists are focusing on chemical sensors based on molecular recognition chemistry. Conventional approaches involved the development of selective chemical sensors to specifically detect species of interest, whilst more recent studies have revealed the potential of cross-reactive molecular recognition. Such approaches, combined with pattern recognition, are a powerful technique to gain much qualitative and quantitative information. However, pattern recognition is frequently misunderstood and misinterpreted, leading to inaccurate interpretation of results.Chemosensor Arrays: Fundamental Pattern Recognition, Development and Applications aims to help researchers in the design and application of chemosensor arrays, and the accurate interpretation of data patterns in molecular recognition chemistry. Beginning with an introduction to chemosensing, the principles of chemosensors, and the fundamentals of computational principles and methods for chemical sensing, the book goes on to explore some key design strategies and examples with chapters on a biological nose, artificial nose and artificial tongue. Applications to real world scenarios are then discussed, followed by consideration of future needs and developments in the field. Based on the cross-disciplinary experience of its expert authors, Chemosensor Arrays: Fundamental Pattern Recognition, Development and Applications provides practical advice for all those interested in pattern recognition-driven chemical sensing.

  • Metamorphosis of Computational Chemistry Driven by Artificial Intelligence and Industry 5.0

    • 1st Edition
    • Garikapati Narahari Sastry + 3 more
    • English
    Metamorphosis of Computational Chemistry Driven by Artificial Intelligence and Industry 5.0 explores the cutting-edge synergy among Computational Chemistry, Artificial Intelligence (AI), and the emerging paradigm of Industry 5.0. The book offers a comprehensive, introductory overview of how AI-driven techniques are revolutionizing the field of computational chemistry and transforming industries. Readers will explore the convergence of AI algorithms, big data analytics, and advanced computational methods such as Natural language Processing, Image Processing, and Machine Learning in the context of chemical research and industrial processes.The book also discusses how AI is accelerating Computational Chemistry, Materials Science, and Chemical Engineering by automating complex calculations, predicting molecular properties, and optimizing chemical processes. Furthermore, it provides a deep dive into the concept of Industry 5.0, which envisions a new era of manufacturing characterized by human-robot collaboration, intelligent factories, and decentralized production systems. The book illustrates how AI and Computational Chemistry play pivotal roles in realizing the vision of Industry 5.0 by optimizing manufacturing processes, quality control, and sustainability efforts.

  • Condensed Matter Structural Chemistry

    • 1st Edition
    • Ruren Xu + 3 more
    • English
    Condensed Matter Structural Chemistry builds on the foundational establishment of condensed matter chemistry; a new discipline to advance chemical and physical sciences by integrating multi-level structural perspectives into reaction chemistry. This book focuses on the structural chemistry branch, emphasizing the dynamic evolution of condensed matter structures under diverse conditions. It systematically explores multi-level structures—from electronic and crystal phases to defects in solids—and their critical roles in chemical reactions, supported by advanced in situ characterization techniques and emerging AI-driven condensed-matter engineering.Sections highlights interdisciplinary connections with material and life sciences, addressing solids, liquids, and biological condensed phases, and illustrating how structural changes influence reaction pathways and outcomes. Intended for academic researchers, industrial developers, and advanced students in Chemistry, Physics, and Material Science, this book serves as a comprehensive guide to the structural underpinnings of condensed-matter reactions.

  • Introduction to Supercritical Fluids

    A Spreadsheet-Based Approach
    • 2nd Edition
    • Richard L. Smith + 2 more
    • English
    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.

  • Adsorption by Powders and Porous Solids

    Principles, Methodology, and Applications
    • 3rd Edition
    • Jean Rouquerol + 7 more
    • English
    Adsorption by Powders and Porous Solids: Principles, Methodology, and Applications, Third Edition provides a comprehensive treatment of all aspects of adsorption at both the gas/solid interface and the liquid/solid interface, while also covering the application aspects of adsorption. The book gives an introductory review of the various theoretical and practical aspects of adsorption by powders and porous solids with reference to advanced techniques and applications (including separation of industrial gases and pollution control, catalysis, gas storage) involving materials of technological importance. It is primarily written for advanced undergraduates, postgraduates, lecturers, researchers, and practitioners in physical chemistry, materials science, surface science, and chemical engineering.The book's primary aim is to meet the needs of students and non-specialists who are new to surface science or who wish to use the advanced techniques now available for the determination of surface area, pore size and surface characterization. In addition, for this fully updated third edition, a critical account is given of the most recent work on the adsorptive properties of activated carbons, oxides, clays, zeolites, and MOF’s.

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