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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.

  • 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.

  • Lattice Dynamics of Molecular Crystals and Weak Chemical Interactions

    Investigation using Raman Spectroscopy Methods
    • 1st Edition
    • Boris Kolesov
    • English
    Weak chemical interactions (van der Vaals, halogen and hydrogen bonding) establish the structure of molecular crystals. Even if the nature of van der Vaals interaction is now well understood and described, then the essence of halogen and hydrogen bonds is still debated. Understanding their nature is crucial for the design and synthesis of organic, pharmaceutical and biological systems, as well as for predicting the main physicochemical properties of synthesized objects.Lattice Dynamics of Molecular Crystals and Weak Chemical Interactions: Investigation using Raman Spectroscopy Methods shows how to fully exploit the capabilities of Raman spectroscopy in the study of weak chemical interactions in molecular crystals. It presents the concept of weak chemical interactions based on experimental study of a wide class of molecular crystals. Information on the temperature dependence of the parameters of vibrational modes makes it possible to obtain information on the potential of intermolecular interaction, the degree of its anharmonicity, the orientational mobility of molecules in a crystal, structural phase transitions, and the behaviour of a proton on a hydrogen bond.Lattice Dynamics of Molecular Crystals and Weak Chemical Interactions: Investigation using Raman Spectroscopy Methods is written primarily for physical and organic chemists as well scientists and engineers involved in crystal engineering and the synthesis and design of any molecular crystals and crystalline structures containing weak chemical interactions. It will also be of use to anyone investigating lattice dynamics probed by Raman spectroscopy, including a diverse range of chemists and physicists or those whose interests lie in the fields of biological or pharmaceutic systems.

  • Handbook on the Physics and Chemistry of Rare Earths

    Including Actinides
    • 1st Edition
    • Volume 69
    • English
    Handbook on the Physics and Chemistry of Rare Earths series, highlights new advances in the field, with this new volume presenting interesting chapters. Each chapter is written by an international board of authors.

  • Physical Chemistry at the Intersection of Combustion and Atmospheric Sciences

    • 1st Edition
    • Brandon Rotavera
    • English
    Physical Chemistry at the Intersection of Combustion and Atmospheric Sciences provides the first detailed exploration of overlapping scientific problems in physical chemistry within the domains of combustion and atmospheric chemistry. The intersection between these two areas refers specifically to the role in atmospheric processes of gas-phase and particle-phase emissions produced from combustion in the transportation sector. The importance of this intersection of the two areas is derived from the influence of molecular structure of hydrocarbons and biofuels on the formation of volatile organic compounds and primary organic aerosols (POA) becoming reactants in the troposphere and contribute to secondary organic aerosol (SOA) in the atmosphere. Research approaches required to solve these challenges span a broad range of experimental apparatus, experimental target (spectroscopy, reaction rates, speciation), computational quantum chemistry methodologies, detailed chemical kinetics modelling, and atmospheric modelling. Specific problems addressed in this book include detailing the current state of knowledge and future research needs on topics, such as the role of organic hydroperoxide reactivity in both atmospheric chemistry and combustion, the importance of peroxy radicals produced in biofuel and hydrocarbon combustion that control chain-branching, and in tropospheric chemistry, affect OH-budgeting and the formation of aerosols that impact air quality. Significant attention will also be paid to the influence of functional groups on combustion reaction mechanisms as well as downstream effects on gas-phase chemical reactions in atmosphere. Specifically, problems connecting gas-phase reactions of functionalized organic molecules present in combustion emissions to secondary organic aerosol (SOA) formation will be addressed. In addition, remaining challenges in understanding the subsequent physical and chemical processes involving SOA will be addressed. Physical Chemistry at the Intersection of Combustion and Atmospheric Sciences is written primarily for research staff scientists, R&D personnel (laboratory and industry), graduate students, and professors in the fields of physical chemistry, atmospheric science, and chemical engineering. The book will appeal to experimental and theoretical kineticists as well as any researchers involved in combustion and atmospheric modelling.

  • 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.

  • Unveiling the Atom and Its Nucleus

    Discoveries, Insights, and Understanding
    • 1st Edition
    • Michael F. L'Annunziata
    • English
    Unveiling the Atom and Its Nucleus: Discoveries, Insights, and Understanding explores how chemists and physicists have used scientific principles and experimentation to unveil the structure of the atom, factors governing nuclear stability and decay, modes of nuclear decay, and how the components of the atom interrelate to govern nuclear stability or predict its instability. Numerous examples are featured, showing how discoveries (some of which were considered insignificant at the time) have led to remarkable findings and resulted in our current knowledge of the concepts and properties of the atom, such as Oliphant’s discovery of nuclear fusion, Bethe’s energy production in stars, and consequent current fusion energy development. Examples are provided throughout where stunning discoveries were envisioned resulting from the findings of others. The book will describe how one scientific discovery led to another and how physicists have taken our current understanding of quantum chromodynamics and applied it to nuclear stability and decay. The book also provides a summary of current advances in vital applications of atomic energy, such as current applications in nuclear medicine including positron emission tomography, hadron therapy, targeted hadron therapy and radioactive nanoparticles in cancer therapy, stable and radioactive nuclides in research to enhance agricultural production, food preservation, and applied nuclear fusion. It concludes by looking at the status of international treaties and efforts to control nuclear weapon proliferation and nuclear war. Unveiling the Atom and Its Nucleus is written primarily for undergraduate and graduate students and teachers of nuclear and radiochemistry, as well as atomic and nuclear physics and physical chemistry. It will also be of interest to researchers, students, and teachers in the fields of nuclear medicine, medical physics, physical chemistry, and biochemistry, particularly those in the field of the biochemistry of radiopharmaceuticals or looking at the industrial applications of radiation and radionuclides.

  • 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.

  • Introduction to Supercritical Fluids

    A Spreadsheet-Based Approach
    • 2nd Edition
    • Richard L. Smith + 2 more
    • English
    Introduction to Supercritical Fluids, Second Edition provides an accessible overview of elementary supercritical fluid processes (extraction, particle formation, mass transfer, 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.Part II takes a practical approach and addresses the thermodynamic framework, equations of state, fluid phase equilibria, mass transfer (newly added), heat transfer and cycle analysis (newly added), chemical equilibria and reaction kinetics 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.

  • 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.

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