Books in Chemistry

Chemistry topic areas include: physical and theoretical, computational, organic, organometallic and inorganic, pharmaceutical and medicinal, analytical and bioanalytical, nuclear, general, nanochemistry, geochemistry, materials and polymer, as well as environmental, green and sustainable chemistry.

Books Journals

Advances in Carbohydrate Chemistry and Biochemistry

1st Edition
Volume 88
December 1, 2025
David C. Baker
English

Advances in Carbohydrate Chemistry and Biochemistry, Volume 88 in this series, highlights new advances in the field, with this new volume presenting interesting chapters written by an international board of authors.

Redox Catalysis for Energy and the Environment

1st Edition
Volume 77
December 1, 2025
Montserrat Diéguez + 2 more
English

Redox Catalysis for Energy and The Environment, Volume 77 in the Advances in Catalysis series highlights new advances in the field, with this volume presenting engaging chapters written by an international board of authors. Topics covered include the development of earth-abundant molecular catalysts with redox-active ligands for artificial photosynthesis, the use of porous organic materials for photocatalytic degradation of water pollutants, supramolecular systems for chemical energy conversion, and dyadic systems for water-splitting catalysis. The volume also explores innovations in artificial photosynthesis extending beyond water splitting, aimed at applications in organic synthesis.

Analysis of Chiral Pollutants in the Environment: Fundamentals, Techniques and Applications

1st Edition
Volume 111
November 3, 2025
Irene Aparicio + 2 more
English

Analysis of Chiral Pollutants in the Environment: Fundamentals, Techniques and Applications, Volume 111 provides in-depth information on a variety of chiral pollutants. Chapters in this new release include Fundamentals of chirality. Enantioselective behavior and ecotoxicity of environmental chiral pollutants, Chiral pharmaceuticals in environmental samples, An overview of the enantioselective determination of pesticides in environmental samples, An overview of the enantioselective determination of illicit drugs in environmental samples, Recent progress in the analysis of isomers and enantiomers of per- and polyfluoroalkyl substances in environmental and biological samples, An overview of the enantioselective determination of polychlorinated biphenyls in environmental samples, and much more.Additional chapters cover an overview of the enantioselective determination of musk fragrances in environmental samples, Supercritical fluid chromatography with mass spectrometry for the determination of chiral pollutants, Multidimensional chromatography. A powerful technique in analysis of chiral agrochemicals in environment, Capillary electrophoresis for the determination of chiral pollutants, Indirect chromatographic approach for enantioselective analysis of chiral environmental pollutants, Chiral pesticide fate in soils: processes, experimental considerations, and case studies, and many more interesting topics.

Analysis of Crude Oil Pollution

1st Edition
Volume 111
November 1, 2025
Piero Gardinali
English
Hardback
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eBook
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Analysis of Crude Oil Pollution, Volume 105 in the Comprehensive Analytical Chemistry series, highlights new advances in the field, with this new volume updating on topics surrounding pollution in the crude oil realm.

Phase Equilibrium Engineering

2nd Edition
Volume 13
November 1, 2025
Esteban Alberto Brignole + 1 more
English
Paperback
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eBook
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Phase Equilibrium Engineering, Second Edition presents a systematic and fully updated study of the application of phase equilibrium tools to the development of chemical processes. The thermodynamic modeling of mixtures for process development, synthesis, simulation, design, and optimization are analyzed. This book changes the focus from the use of thermodynamics relationships to compute phase equilibria to the design and control of the phase conditions that a process needs. In this second edition, the authors have thoroughly updated all chapters with new sections and case studies and added new chapters relating to their expertise and newest experimental work in high pressure labs and modelling of behavior of complex mixtures.Traditionally, the teaching of phase equilibria emphasizes the relationships between the thermodynamic variables of each phase in equilibrium rather than its engineering applications. This book changes the focus from the use of thermodynamics relationships to compute phase equilibria to the design and control of the phase conditions that a process needs. The thermodynamic modeling of mixtures for process development, synthesis, simulation, design, and optimization is analyzed. The relation between the mixture molecular properties, the selection of the thermodynamic model and the process technology that could be applied are discussed. A classification of mixtures, separation process, thermodynamic models and technologies is presented to guide the engineer in the world of separation processes. The phase condition required for a given reacting system is studied at subcritical and supercritical conditions. The four cardinal points of phase equilibrium engineering are: the chemical plant or process, the laboratory, the modeling of phase equilibria and the simulator. The harmonization of all these components to obtain a better design or operation is the goal of phase equilibrium engineering.

Density Functional Theory

1st Edition
Volume 25
November 1, 2025
Aleksey E. Kuznetsov
English
Paperback
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eBook
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Density Functional Theory: Current Trends and Applications provides a thorough and detailed explanation and overview of this important computational quantum mechanical modelling method and its applications. The book's chapters are structured to be easier to understand and more accessible to the target audience. Split into three distinct sections, it examines foundational knowledge surrounding DFT, covering key concepts such as the Thomas-Fermi model and Hohenberg-Kohn-Sham theory, exchange-correlation functionals, the advantages and disadvantages of DFT compared to MO theory, and other methods before exploring areas of future DFT development.The second section then examines practical methods and approaches for DFT, looking at the types of density functionals such as LSDA, GGA and meta-GGA functionals, hybrid functionals, DFTB methods, dispersion corrected functionals, Time-Dependent DFT, and the Plane-wave approach. It also looks at relations between DFT and ab initio molecular dynamics and the QM/MM approach. The final section then focuses on applications and some useful case studies of use of DFT in different areas, whilst weighing up strengths and weaknesses in such applications.

Elementary Kinetic Modelling in Catalytic Reaction Engineering

1st Edition
November 1, 2025
Joris W. Thybaut + 5 more
English
Paperback
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eBook
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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-heterogeneous 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.

Broadband Dielectric Spectroscopy

1st Edition
November 1, 2025
Carlos M. Costa + 1 more
English

Broadband Dielectric Spectroscopy: Fundamentals and Applications explores the current landscape of BDS in detail, with a focus on techniques, analytical tools, devices, and materials, leading to a critical and pedagogical overview of the field. This book covers both the theory and fundamentals of BDS, as well as the most recent advances in the field with a specific focus on is its application within advanced materials. Sections I provides a strong theoretical background and foundational overview, as well as explaining how experimental tests can be conducted, discussing the methods of analysing data via various formalisms, detailed methods, and example case studies. The book then builds on this overview by exploring the ways in which BDS intersects with and can be used in conjunction other analytical and spectroscopic techniques. Sections II and III build on this theoretical knowledge to delve into the real-world applications of BDS across scientific disciplines and industries. Section IV explores a wide array of materials, exploring how BDS can be used in cutting edge ways on some of the most important materials used in chemical and material science research, such as: solution materials, polymers, hybrid polymers and nanocomposites, ionic liquids, and active dielectrics. This section covers the ways in which BDS can be used within these fabrication, quality control and sensing and monitoring of processes in these materials. Finally, given that BDS is a potent experimental tool that can be utilized by many researchers in myriad distinct fields of science, Section V of this book uses case studies and detailed methods and protocols to explore examples of how it can be used across various industries to great effect. This book guides the reader through formalism of BDS through to applications in different materials and will make an excellent resource for students (both upper undergraduate and postgraduate), researchers and engineers looking to work with this technique, primarily materials chemists, analytical chemists, materials scientists, physicists, and physical chemists working with BDS or working on advanced materials, dielectric materials, materials for electronics and in the area of dielectric relaxation processes for advanced applications. Given that this book also focuses on the intersections between BDS and other correlated analytical methods across industries, it will also be of great interest to engineers in the fields of polymers, composites, ceramics, electronic communications, and energy industries working on dielectrics and related materials and applications.

Computational Methods for the Multiscale Modelling of Soft Matter

1st Edition
November 1, 2025
Paola Carbone + 1 more
English

Due to the hierarchical organization of morphology in soft materials and their slow dynamics, a single modelling technique does not suffice to simulate them. The wide range of modelling approaches available span many time and length scales, making it challenging for newcomers to the field to know how to critically assess the tools and to determine which is most appropriate for any given problem. This book provides a concise and clear description of a variety of simulation methods to model these ubiquitous materials. The list of techniques includes numerical and molecular modelling ones and covers several time and length scales.Along with the fundamental concepts of the theory behind the methods, a comprehensive set of examples taken from the broad pool of soft materials is included. These exemplify how, thanks to the increased computational resources nowadays available to almost any research group, computational methods have become a powerful tool to sit alongside other experimental characterizations and show their increasing relevance for the manufacturing sector. Chapters illustrate how modelling techniques can be used to aid interpretation of experimental data, and how experiments can be used to parameterise models. In addition to enabling informed decisions to be made about the modelling tools to adopt for a given problem, the book will enable those who might already be experts in one technique to transition to other tools more easily. This will become increasingly important as multiscale tools become increasingly sophisticated and sufficiently well developed to be used by more casual users of simulation tools.Bringing together all these modelling approaches and applications into one coherent volume, Computational Methods for the Multiscale Modelling of Soft Matter provides a one-stop resource that is written primarily for postgraduate students and researchers in materials science, computational physics and chemists and chemical engineering interested in learning about simulation methods for soft materials as polymers, surfactants, and colloids.

Robust Theoretical Models in Medicinal Chemistry

1st Edition
November 1, 2025
Luciana Scotti + 1 more
English
Paperback
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eBook
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Robust Theoretical Models in Medicinal Chemistry: QSAR, Artificial Intelligence, Machine Learning, and Deep Learning serves as a valuable resource chock full of applications extending into multiple knowledge domains. The meticulous construction of a robust model holds significance, not only in drug discovery but also in engineering, chemistry, pharmaceutical, and food-related research, illustrating the broad spectrum of fields where QSAR methodologies can be instrumental. The activities considered in QSAR span chemical measurements and biological assays, making this approach a versatile tool applicable across various scientific domains. Currently, QSAR finds extensive use in diverse disciplines, prominently in drug design and environmental risk assessment.Quantitative Structure-Activity Relationships (QSAR) represent a concerted effort to establish correlations between structural or property descriptors of compounds and their respective activities. These physicochemical descriptors encompass a wide array of parameters, accounting for hydrophobicity, topology, electronic properties, and steric effects, and can be determined empirically or, more recently, through advanced computational methods.

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