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Books in Physical and theoretical chemistry

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Handbook of Astrochemistry

  • 1st Edition
  • July 1, 2025
  • 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.

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.

Recent developments of molecular electronic structure theory

  • 1st Edition
  • Volume 91
  • June 1, 2025
  • Philip E. Hoggan + 1 more
  • English
  • Hardback
    9 7 8 - 0 - 4 4 3 - 3 4 3 5 7 - 5
  • eBook
    9 7 8 - 0 - 4 4 3 - 3 4 3 5 8 - 2
New Insights into Molecular Electronic Structure Theory, Volume 91 in the Advances in Quantum Chemistry series, highlights new advances in the field, with this new volume presenting interesting chapters written by an international board of authors.

Enhanced Sampling Methods for Molecular Dynamics

  • 1st Edition
  • May 1, 2025
  • English
  • eBook
    9 7 8 - 0 - 4 4 3 - 3 2 8 2 3 - 7
This book provides a single introductory resource for understanding enhanced sampling techniques for molecular dynamics studies of equilibrium and kinetics, discussing the theory, algorithm, and implementation of techniques for equilibrium studies, such as Umbrella Sampling, Replica Exchange, Generalized Ensembles, and Metadynamics. A similar discussion of methodologies for enhanced sampling for kinetics then follows. Ron Elber considers exact and approximate approaches of enhanced sampling, their speed, rate of convergence, and accuracy. He examines the necessary inputs of these approaches, such as prior knowledge of the reaction coordinate (or several coarse variables). The chapters consider path integral formulation, Weighted Ensemble, Transition Path Sampling, and Milestoning. Finally, simple, detailed examples illustrate the enhancements and prepare the reader for their use in more complex systems. Enhanced Sampling Methods for Molecular Dynamics is written primarily for computational chemists and biochemists (graduate students and postdoctoral fellows) as well as computational and theoretical scientists who study molecular processes. Experimentalists in the biophysics and biochemistry fields, as well as practitioners in the drug and material design areas who use standard software tools to conduct MD simulations of their experimental systems will also find the book of interest.

Zeta Potential

  • 1st Edition
  • May 1, 2025
  • Andrei S. Dukhin + 1 more
  • English
  • Paperback
    9 7 8 - 0 - 4 4 3 - 3 3 4 4 3 - 6
  • eBook
    9 7 8 - 0 - 4 4 3 - 3 3 4 4 4 - 3
Zeta Potential has been known for more than one hundred years as a characteristic of the Interfacial Electric Double layer that control many properties and processes in dispersions, emulsions, and wet porous materials. It appears in many fundamental studies of such systems. It is a parameter used more and more in nanotechnology, biomedical and many other fields. However, due to the lack of corresponding education in colleges and graduate schools, many users, even some senior researchers, do not fully understand the concept and many mistakes appear in publications and applications. Recently, application of the zeta potential has expanded more into formulation and even quality control of these heterogeneous systems. The main goal of this book is to reflect this switch. In contrast to previously published books on this subject, it places emphasis on modern measurement methods that allow expansion in zeta potential usage and applications. Major focus is given to the three critical electrokinetic phenomena that serve as a basis for modern methods of zeta potential measurements: electrophoresis, electroacoustics and streaming current. The section on these methods will help the reader to navigate between different methods and select the one that is most appropriate for their application. The section on applications includes reviews of hundreds published papers so the reader can find previously published data on similar projects.Zeta Potential: Fundamentals, Methods, and Applications addresses the need for an up-to-date book focusing on the principles and practice of zeta potential measurements, providing readers with comprehensive and readily understandable coverage. It is suitable for an interdisciplinary audience of researchers, engineers and students who are involved in studying or using in industry complex heterogeneous liquids, like dispersions and emulsions, as well as wetted porous materials. This includes but is not limited to materials/colloids and interface chemists, chemical engineers, material scientists, biophysicists, and biochemists.

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, the latest release in the Electrochemical Power Sources: Fundamentals, Systems, and Applications series, presents a detailed accounting 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.

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