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Books in Physical and theoretical chemistry

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Metal Nanocluster Chemistry

  • 1st Edition
  • January 18, 2023
  • Manzhou Zhu
  • English
  • Paperback
    9 7 8 - 0 - 3 2 3 - 9 0 4 7 4 - 2
  • eBook
    9 7 8 - 0 - 3 2 3 - 9 0 4 7 5 - 9
Atomically precise metal nanoclusters occupy the gap between discrete atoms and plasmonic nanomaterials, and they offer intriguing physical-chemical properties that can be rationalized in terms of their quantum size effects and discrete electronic states. The atomically precise nature of their structures lends them well to structure-property relationship elucidation, making them particularly useful for informing the rational design of nanoclusters with enhanced performance. Metal Nanocluster Chemistry: Ligand-Protected Metal Nanoclusters With Atomic Precision provides a concise introduction to the study of these useful nanoclusters. Beginning with an introduction to the fundamental concepts of, and prospects for, metal nanoclusters, the book goes on to highlight synthetic methods for controllable preparation. The subsequent chapters then highlight characterization, mechanism of size growth and structure evolution, and physical-chemical properties. Later chapters examine theoretical approaches for calculating and evaluating structures and properties. They also highlight the assembly of nanocluster building blocks and their practical applications. Drawing on the knowledge of its expert author, Metal Nanocluster Chemistry is a useful introductory guide to these exciting structures. 

Advances in Quantum Chemical Topology Beyond QTAIM

  • 1st Edition
  • December 6, 2022
  • Juan I. Rodriguez + 2 more
  • English
  • Paperback
    9 7 8 - 0 - 3 2 3 - 9 0 8 9 1 - 7
  • eBook
    9 7 8 - 0 - 3 2 3 - 9 0 8 9 2 - 4
Advances in Quantum Chemical Topology Beyond QTAIM provides a complete overview of the field, starting with traditional methods and then covering key steps to the latest state-of-the-art extensions of QTAIM. The book supports researchers by compiling and reviewing key methods, comparing different algorithms, and providing computational results to show the efficacy of the approaches. Beginning with an introduction to quantum chemistry, QTAIM and key extensions, the book goes on to discuss interacting quantum atoms and related energy properties, explores partitioning methods, and compares algorithms for QTAIM. Partitioning schemes are them compared in more detail before applications are explored and future developments discussed. Drawing together the knowledge of key authorities in the area, this book provides a comprehensive, pedogeological guide to this insightful theory for all those interested in modelling, exploring and understanding molecular properties.

Advances in Physical Organic Chemistry

  • 1st Edition
  • Volume 56
  • November 17, 2022
  • Nick Williams + 1 more
  • English
  • Hardback
    9 7 8 - 0 - 3 2 3 - 9 8 5 9 1 - 8
  • eBook
    9 7 8 - 0 - 3 2 3 - 9 8 6 0 1 - 4
Advances in Physical Organic Chemistry, Volume 56 presents the latest reviews of recent work in physical organic chemistry. The book provides a valuable source of information that is ideal not only for physical organic chemists applying their expertise to both novel and traditional problems, but also for non-specialists across diverse areas who identify a physical organic component in their approach to research. Chapters due to be included in this release cover flavin-dependent enzyme catalysed reactions, coacervates and their properties, heavy atom tunnelling, machine learning, acidity and substituent effects.

Advances in Quantum Chemistry

  • 1st Edition
  • Volume 86
  • October 21, 2022
  • Erkki J. Brändas + 1 more
  • English
  • Hardback
    9 7 8 - 0 - 4 4 3 - 1 8 6 6 5 - 3
  • eBook
    9 7 8 - 0 - 4 4 3 - 1 8 6 6 6 - 0
Advances in Quantum Chemistry, Volume 86 highlights new advances in the field, with this new volume presenting topics covering Can orbital basis sets compete with explicitly correlated ones for few-electron systems?, Converging high-level equation-of-motion coupled-cluster energetics with the help of Monte Carlo and selected configuration interaction, Coupled cluster downfolding techniques: a review of existing applications in classical and quantum computing for chemical systems, Multi-reference methods for the description of dynamic and nondynamic electron correlation effects in atoms and molecules, Exploring the attosecond laser-driven electron dynamics in the hydrogen molecule with different TD-CI approaches, and much more. Additional sections cover Molecular systems in spatial confinement: variation of linear and nonlinear electrical response of molecules in the bond dissociation processes, Relativistic Infinite-order two-component methods for heavy elements, Second quantized approach to exchange energy revised – beyond the S^2 approximation, Calculating atomic states without the Born-Oppenheimer approximation,  Convergence of the Correlated Optimized Effective Potential Method, and more.

Machine Learning and Pattern Recognition Methods in Chemistry from Multivariate and Data Driven Modeling

  • 1st Edition
  • October 20, 2022
  • Jahan B. Ghasemi
  • English
  • Paperback
    9 7 8 - 0 - 3 2 3 - 9 0 4 0 8 - 7
  • eBook
    9 7 8 - 0 - 3 2 3 - 9 0 7 0 6 - 4
Machine Learning and Pattern Recognition Methods in Chemistry from Multivariate and Data Driven Modeling outlines key knowledge in this area, combining critical introductory approaches with the latest advanced techniques. Beginning with an introduction of univariate and multivariate statistical analysis, the book then explores multivariate calibration and validation methods. Soft modeling in chemical data analysis, hyperspectral data analysis, and autoencoder applications in analytical chemistry are then discussed, providing useful examples of the techniques in chemistry applications. Drawing on the knowledge of a global team of researchers, this book will be a helpful guide for chemists interested in developing their skills in multivariate data and error analysis.

Atomically Precise Metal Nanoclusters

  • 1st Edition
  • October 8, 2022
  • Thalappil Pradeep
  • English
  • Paperback
    9 7 8 - 0 - 3 2 3 - 9 0 8 7 9 - 5
  • eBook
    9 7 8 - 0 - 3 2 3 - 9 0 8 8 0 - 1
Atomically Precise Metal Nanoclusters discusses the host of exciting properties that can be better harnessed with a solid understanding of their different structures and subsequent properties at the molecular level. The book delves into the foundational chemistry of numerous key atomically precise clusters and provides guidance on key approaches employed to examine them. Beginning with an introduction to the properties and fundamental nano-chemistry of atomically precise metal nanoclusters, the book then explores key approaches for their synthesis, examination and modification, including chromatography, mass spectrometry, single crystal diffraction, electron microscopy and computational approaches. A final section covers specific nanoclusters and cluster systems. User will find the important knowledge of an experienced team of contributors who provide a detailed guide to understanding, investigating and utilizing these useful structures that is ideal for anyone working in related fields.

Atomic Clusters with Unusual Structure, Bonding and Reactivity

  • 1st Edition
  • October 6, 2022
  • Pratim Kumar Chattaraj + 2 more
  • English
  • Paperback
    9 7 8 - 0 - 1 2 - 8 2 2 9 4 3 - 9
  • eBook
    9 7 8 - 0 - 1 2 - 8 2 3 1 0 1 - 2
Atomic Clusters with Unusual Structure, Bonding and Reactivity: Theoretical Approaches, Computational Assessment and Applications reviews the latest computational tools and approaches available for accurately assessing the properties of a cluster, while also highlighting how such clusters can be adapted and utilized for the development of novel materials and applications. Sections provide an introduction to the computational methods used to obtain global minima for clusters and effectively analyze bonds, outline experimental approaches to produce clusters, discuss specific applications, and explore cluster reactivity and usage across a number of fields.Drawing on the knowledge of its expert editors and contributors, this book provides a detailed guide to ascertaining the stability, bonding and properties of atomic clusters. Atomic clusters, which exhibit unusual properties, offer huge potential as building blocks for new materials and novel applications, but understanding their properties, stability and bonding is essential in order to accurately understand, characterize and manipulate them for further use. Searching for the most stable geometry of a given cluster is difficult and becomes even more so for clusters of medium and large sizes, where the number of possible isomers sharply increase, hence this book provides a unique and comprehensive approach to the topic and available techniques and applications.

Supramolecular Coordination Complexes

  • 1st Edition
  • September 30, 2022
  • Sankarasekaran Shanmugaraju
  • English
  • Paperback
    9 7 8 - 0 - 3 2 3 - 9 0 5 8 2 - 4
  • eBook
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Supramolecular Coordination Complexes: Design, Synthesis, and Applications discusses the growth of the field and explores the advantages, opportunities and latest applications of supramolecular complexes. Beginning with an introduction to design principles, synthetic methods, and post-synthetic functionalization of supramolecular complexes, the book goes on to compile the different analytical and computational modeling methods used to understand the structure and functional properties of supramolecular structures. Applications of supramolecular complexes in biomedicine, sensing, catalysis and materials are then explored in detail. Drawing on the knowledge of a global team of experts, this book provides a wealth of interesting information for students and researchers working in the design, synthesis or application of such complexes.

Radioactivity

  • 3rd Edition
  • September 29, 2022
  • Michael F. L'Annunziata
  • English
  • Hardback
    9 7 8 - 0 - 4 4 3 - 1 5 8 2 7 - 8
  • eBook
    9 7 8 - 0 - 3 2 3 - 9 8 4 4 7 - 8
Radioactivity: History, Science, Vital Uses and Ominous Peril, Third Edition provides an introduction to radioactivity, the building blocks of matter, the fundamental forces in nature, and the role of quarks and force carrier particles. This new edition adds material on the dichotomy between the peaceful applications of radioactivity and the threat to the continued existence of human life from the potential use of more powerful and sophisticated nuclear weapons. The book includes a current review of studies on the probability of nuclear war and treaties, nonproliferation and disarmament, along with historical insights into the achievements of over 100 pioneers and Nobel Laureates. Through multiple worked examples, the book answers many questions for the student, teacher and practitioner as to the origins, properties and practical applications of radioactivity in fields such as medicine, biological and environmental research, industry, safe nuclear power free of greenhouse gases and nuclear fusion. Ratings and Reviews of Previous Editions: CHOICE Magazine, July 2008: "This work provides an overview of the many interesting aspects of the science of radioactive decays, including in-depth chapters that offer reminiscences on the history and important personalities of the field...This book can be useful as supplemental reading or as a reference when developing course material for nuclear physics, nuclear engineering, or health physics lectures. Special attention　has been given to a chapter on the role radioactivity plays in everyday　life applications...Generally the book is well produced and will be a valuable resource...Many lectures can be lightened up by including material from this work. Summing up: RECOMMENDED. Upper division undergraduates through professionals; technical program students." U. Greife, Colorado School of Mines, USA "I found the biographical accounts of the various stalwarts of Physics inspirational. Most of them, if not all, had to overcome economic hardships or p[ersonal tragedies or had to do their groundbreaking　work in the face of tyranny and war. The biographies also highlighted the high standards of moral convictions that the scientists had as they realized the grave implications of some of their work and the potential threats to humanity. This ought to inspire and motivate young men and women aspiring to be physicists. Even people who have been in the field for a while should find your book re-energizing. It certainly had that effect on me." -- Dr. Ramkumar Venkataraman, Canberra Industries, Inc., Meriden, CT, USA Winner of an Honorable Mention in the 2017 PROSE Awards in the category of Chemistry and Physics (https://proseawards.com/winners/2017-award-winners/ )

Advanced Spectroscopic Methods to Study Biomolecular Structure and Dynamics

  • 1st Edition
  • September 28, 2022
  • Prakash Saudagar + 1 more
  • English
  • Paperback
    9 7 8 - 0 - 3 2 3 - 9 9 1 2 7 - 8
  • eBook
    9 7 8 - 0 - 3 2 3 - 9 9 3 6 6 - 1
Advanced Spectroscopic Methods to Study Biomolecular Structure and Dynamics presents the latest emerging technologies in spectroscopy and advances in established spectroscopic methods. The book presents a guide to research methods in biomolecular spectroscopy, providing comprehensive coverage of developments in the spectroscopic techniques used to study protein structure and dynamics. Seventeen chapters from leading researchers cover key aspects of spectroscopic methods, with each chapter covering structure, folding, and dynamics. This title will help researchers keep up-to-date on the latest novel methods and advances in established methods.

Related subjects

Atomic and molecular structure

Biophysical chemistry

Chemical kinetics

Computational chemistry

Crystal chemistry crystallography

Electrochemistry

Phase structure and relations

Photochemistry

Radiochemistry and nuclear chemistry

Solid state chemistry

Surface chemistry

Theory of liquids and solutions

Thermochemistry and thermodynamics