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Books in Physical and theoretical chemistry

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Theoretical Foundations of Multiscale Modelling

  • 1st Edition
  • June 1, 2025
  • Michele Cascella + 1 more
  • English
  • Paperback
    9 7 8 - 0 - 3 2 3 - 8 8 4 4 0 - 2
  • eBook
    9 7 8 - 0 - 3 2 3 - 9 0 6 0 6 - 7
Theoretical Foundations of Multiscale Modelling aims to address thermodynamical and statistical mechanical foundations of methods commonly employed, highlighting the potential and limitations of each approach. Starting with an overview of the basics of statistical mechanics, the book's chapters illustrate the general theory of molecular modelling, the concepts and methods for the study of complex molecular systems, key strategies employed to perform computational calculations and simulations, recent, cutting-edge tools of the trade, and a selection of case studies that highlight multi-scale modeling, multiple-resolution simulation methods, and machine-learning applications.Drawing on the experience of its expert authors, this book is an insightful guide for all those learning, applying or interested in exploring multiscale modelling methods for their own work. Multiscale modelling approaches can provide valuable insights to researchers across a broad range of fields, but the interdisciplinary applicability of these approaches means both new learners and experienced researchers may not have a clear understanding of the theoretical and computational fundamentals underpinning these methods.

Density Functional Theory

  • 1st Edition
  • May 1, 2025
  • Aleksey E Kuznetsov
  • English
  • Paperback
    9 7 8 - 0 - 4 4 3 - 1 8 9 7 7 - 7
  • eBook
    9 7 8 - 0 - 4 4 3 - 1 8 9 7 8 - 4
Density Functional Theory: Fundamental Theory, Key Methods, and Applications provides a thorough and detailed explanation and overview of this important computational quantum mechanical modeling 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.

Electrochemistry of Organic and Organometallic Compounds

  • 1st Edition
  • April 1, 2025
  • English
  • Paperback
    9 7 8 - 0 - 4 4 3 - 3 0 1 2 4 - 7
  • eBook
    9 7 8 - 0 - 4 4 3 - 3 0 1 2 5 - 4
Electrochemistry of Organic and Organometallic Compounds is a comprehensive and up-to-date resource for researchers, practitioners and students in the field of electrochemistry, organic chemistry, and organometallic chemistry. The book addresses the growing interest in the use of electrochemical methods for the synthesis, characterization, and functionalization of organic and organometallic compounds. The book provides the the principles and applications of electrochemistry in the context of organic and organometallic compounds. It covers topics such as electrochemical synthesis and functionalization, characterization techniques, and applications in areas such as energy storage and catalysis. It focuses on practical examples and guidance, and provides the tools and knowledge needed to effectively use electrochemical methods for the synthesis and modification of organic and organometallic compounds. The book includes the latest advances in electrochemistry, how to apply these to the synthesis and modification of organic and organometallic compounds, as well as practical guidance on the use of electrochemical techniques. This helps you to keep up with the fast-paced developments in the field, to find reliable and up-to-date information, and to understand the complexities of electrochemical systems and their applications.

Applied Raman Spectroscopy

  • 1st Edition
  • March 1, 2025
  • Vivek Kumar Singh
  • English
  • Paperback
    9 7 8 - 0 - 4 4 3 - 2 1 8 3 4 - 7
  • eBook
    9 7 8 - 0 - 4 4 3 - 2 1 8 3 5 - 4
Applied Raman Spectroscopy: Concepts, Instrumentation, Chemometrics, and Life Science Applications synthesizes recent developments in the field, providing an updated overview. The book focuses on the modern concepts of Raman spectroscopy techniques, recent technological innovations, data analysis using chemometric methods, along with the latest examples of life science applications relevant in academia and industries. It will be beneficial to researchers from various branches of science and technology, and it will point them to modern techniques coupled with data analysis methods. In addition, it will help instruct new readers on Raman spectroscopy and hyphenated Raman spectroscopic techniques.The book is primarily written for analytical and physical chemistry students and researchers at a more advanced level who require a broad introductory overview of the applications of Raman spectroscopy, as well as those working in applied industry and clinical laboratories. Students, researchers, and industry workers in related fields, including X-ray and materials science, agriculture, botany, molecular biology and biotechnology, mineralogy, and environmental science will also find it very useful.

Electrochemical Power Sources: Fundamentals, Systems, and Applications

  • 1st Edition
  • March 1, 2025
  • Eduardo Cattaneo + 2 more
  • English
  • Paperback
    9 7 8 - 0 - 4 4 3 - 4 0 3 7 0 - 5
  • eBook
    9 7 8 - 0 - 4 4 4 - 6 3 2 5 0 - 0
Advanced Industrial Lead-Acid Batteries, written for technologists and engineers, presents a detailed account of the different types of reserve and motive power industrial lead-acid batteries, also including recent developments and new applications.Lead-acid batteries (LAB) for reserve and motive power applications have, in recent years, undergone an evolutionary process triggered by novel developments in telecommunication, information technology, material handling, and renewable energy applications. This book details those advances, giving users the latest information on this rapidly advancing field.

Practical Sonochemistry

  • 3rd Edition
  • January 25, 2025
  • Timothy J Mason + 1 more
  • English
  • Paperback
    9 7 8 - 0 - 4 4 3 - 2 2 0 5 4 - 8
  • eBook
    9 7 8 - 0 - 4 4 3 - 2 2 0 5 3 - 1
Practical Sonochemistry: Applications of Power Ultrasound in Chemistry and Processing, Third Edition conveys the increasing growth in applications and equipment to power ultrasound. The book is written primarily for graduate students, postdoc researchers, and academics in applied chemistry and chemical engineering, as well as technicians and operators in relevant industry. Sonochemistry can do lots of amazing things in many different fields – but how and where do you start with applying it? This thoroughly updated edition offers a ground-up introduction to the fundamentals, applying power ultrasound to both lab and large-scale applications.The book answer questions such as does my laboratory have the equipment- what do I need? I have the equipment, but I have no idea how it works or how to use it- where do I start? I want to apply sonochemistry to a new reaction or processing method – what is the best approach? What types of sonochemistry equipment is available on the market and which is the best to choose? Can I scale up my reaction and if so, how do I do it, given that ultrasound is non-linear?

Redox Signaling in Wound Healing in Elderly Populations: Clinical Approach, Part 2

  • 1st Edition
  • Volume 3
  • January 15, 2025
  • Ufuk Cakatay + 1 more
  • English
  • Hardback
    9 7 8 - 0 - 4 4 3 - 3 4 5 1 5 - 9
  • eBook
    9 7 8 - 0 - 4 4 3 - 3 4 5 1 6 - 6
Redox Signaling in Wound Healing in Elderly Populations: Clinical Approach, Part Two, Volume Three covers wounds in different types and locations (diabetic, ischemic, post-operational) in subcellular and macro dimensions, examining their relationship with aging with an aim to target deteriorating redox signaling cascades and highlight promising therapeutic approaches. Understanding the indication for the use of new therapeutics targeting the illuminated pathways in wound healing helps adjust treatment regimens befitting modern medicine. Ineffective redox adaptation and disseminated oxidative injury are the hallmarks of continuing oxidative stress.However, oxidative stress cannot be simply described as the imbalance between ROS formation and antioxidant defense capacity. This also covers impairment in redox sensing and signaling pathways. The term oxidative stress is an expression that is losing its use in modern redox biology. It is now an accepted fact that ROS cannot be described as an apparent enemy or friend. Its optimum level modulates signal transduction and stress responses by acting as a second messenger for redox-sensitive cascades.

Women’s Contribution to F-element Science Part 2

  • 1st Edition
  • Volume 66
  • November 25, 2024
  • Jean-Claude G. Bunzli + 1 more
  • English
  • Hardback
    9 7 8 - 0 - 4 4 3 - 3 1 3 0 2 - 8
  • eBook
    9 7 8 - 0 - 4 4 3 - 3 1 3 0 3 - 5
Women’s Contribution to F-element Science, Part Two, Volume 66 highlights women researchers, recognizing and showcasing their unique contributions to the field. Topics include nanophosphors for near Infrared imaging and energy conversion, luminescent and upconversion nanomaterials, molecular luminescence, radiopharmaceuticals, and more. Chapters in this new release include Luminescent solar concentrators: current and future applications in smart cities, Lanthanide-Based Responsive MRI Probes, Helicate coordination complexes of rare earths and their luminescent properties, Environmental and molecular facets of uranyl(V) and uranium(V) chemistry, Versatile core/shell luminescent nanoparticles for biophotonic studies, 4f-Metal ions in single molecule magnet systems.

Electrochemical Potassium Storage

  • 1st Edition
  • September 19, 2024
  • Yang XU
  • English
  • Paperback
    9 7 8 - 0 - 4 4 3 - 1 3 8 9 1 - 1
  • eBook
    9 7 8 - 0 - 4 4 3 - 1 3 8 9 0 - 4
Electrochemical potassium storage explores the principles, materials, and technological developments of a variety of battery technologies based on electrochemical potassium storage. It covers the principles of potassium-ion batteries (organic and aqueous electrolytes), potassium metal batteries, potassium-sulfur (selenium) batteries, and potassium-oxygen batteries, as well as the development of the electrode materials of these batteries and the understanding of electrochemical cell operations.Batteries using potassium ions as the charge carrier to store energy operate via different electrochemical processes and have different features of materials electrochemistry compared to lithium-based batteries. Thus, battery technologies based on electrochemical potassium storage exhibit different performance strengths, potentially having diverse market applications. This is particularly important for the search for environmentally and economically sustainable alternatives to conventional lithium-ion batteries in a wide range of applications.This book presents the state-of-the-art development of potassium-based batteries and in-depth discussion on their structure-to-performance relationships.

Encyclopedia of Electrochemical Power Sources

  • 2nd Edition
  • October 3, 2024
  • Jürgen Garche
  • English
  • Hardback
    9 7 8 - 0 - 3 2 3 - 9 6 0 2 2 - 9
  • eBook
    9 7 8 - 0 - 3 2 3 - 9 5 8 2 2 - 6
The Encyclopedia of Electrochemical Power Sources, Second Edition, is a comprehensive seven-volume set that serves as a vital interdisciplinary reference for those working with batteries, fuel cells, electrolyzers, supercapacitors, and photo-electrochemical cells. With an increased focus on the environmental and economic impacts of electrochemical power sources, this work not only consolidates extensive coverage of the field but also serves as a gateway to the latest literature for professionals and students alike.The field of electrochemical power sources has experienced significant growth and development since the first edition was published in 2009. This is reflected in the exponential growth of the battery market, the improvement of many conventional systems, and the introduction of new systems and technologies. This completely revised second edition captures these advancements, providing updates on all scientific, technical, and economic developments over the past decade.Thematically arranged, this edition delves into crucial areas such as batteries, fuel cells, electrolyzers, supercapacitors, and photo-electrochemical cells. It explores challenges and advancements in electrode and electrolyte materials, structural design, optimization, application of novel materials, and performance analysis. This comprehensive resource, with its focus on the future of electrochemical power sources, is an essential tool for navigating this rapidly evolving field.

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