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Books in Atomic and molecular structure

  • Molecular Orbital Theory and Frontier Orbitals for Organic Chemistry

    A Practical Guide
    • 1st Edition
    • Dipak Kumar Mandal
    • English
    Molecular Orbital Theory and Frontier Orbitals for Organic Chemistry: A Practical Guide is a crucial text for students of organic chemistry. This book provides simple, yet quantifiable explanations based on molecular orbital-based reasoning. It seeks to deepen the reader's understanding of long-standing concepts in MO theory, while also formulating new ones through perturbation molecular orbital theory. Written for undergraduates, graduates, and researchers, the book includes many problems with detailed solutions, allowing readers to test their knowledge as they progress through each chapter.The book emphasizes a practical and pedagogical approach, perfected through the authors' extensive teaching experience. It is ideal for those wishing to gain a thorough understanding of molecular orbital theory, from students to seasoned chemists. The text aims to be distinct in its methodology, making it accessible to a wide audience. The inclusion of in-chapter problems helps reinforce learning, ensuring that readers can immediately apply what they have learned. This book serves as an indispensable resource for anyone seeking to master this fundamental aspect of organic chemistry.

  • Theoretical and Physical Chemistry of Triel Bonding

    Properties, Mechanisms, and Catalysis
    • 1st Edition
    • Volume 24
    • Sławomir Janusz Grabowski
    • English
    Theoretical and Physical Chemistry of Triel Bonding: Properties, Mechanisms, and Catalysis explores triel and their compounds, providing a detailed analysis of their molecular and electronic structures, areas often disputed and controversial. It offers a comprehensive description and explanation, emphasizing the unique differences between boron and heavier triel atoms. Key sections cover theoretical foundations, types of interactions, and examples of triel bonds and their characteristics. Additionally, the book highlights triel elements functioning as catalysts and boron compounds in hydrogen storage. Designed for advanced students and researchers in physical or theoretical/computat... chemistry, it will also interest organic and inorganic chemists.Compounds of boron and other triel centres have been the subject of numerous studies for a long time, with their properties well-known and frequently discussed. However, the more detailed characteristics of triel compounds have not been well analyzed in existing research and their molecular and electronic structures have often been the subject of dispute and controversy. Triel bonds as a thematic area have garnered significant interest in recent years and this book provides a much broader description and explanation of their properties and characteristics than has previously been available, discussing aspects which are unique to triel bonds such as the differences between boron and the heavier triel atoms.

  • Nanochemistry

    Chemistry of Nanoparticle Formation and Interactions
    • 1st Edition
    • Anna Klinkova + 1 more
    • English
    Nanochemistry: Chemistry of Nanoparticle Formation and Interactions provides an overview of the chemistry aspects of nanoparticle science, including nanoparticle synthesis, chemical properties, stability, applications and self-assembly behavior. The critical concepts discussed in this book represent the necessary toolbox for enabling the rational design of nanoparticle-based materials for target applications. After an introduction to standard analytical techniques used for nanoparticle characterization, four separate chapters cover inorganic, organic, polymer nanoparticles, and carbon nanostructures to highlight the synthetic protocols, structural intricacies, and chemical properties specific to each of these material classes. Finally, physicochemical phenomena governing self-assembly behavior of nanoparticles are also discussed in detail separately. This book is intended for senior undergraduate, graduate and postgraduate students and research scientists in nanoscience and nanotechnology, material science, chemistry, physics, biomedical sciences and relevant engineering fields that want to develop a deeper understanding of the governing chemical principles on the nanoscale.

  • Hot Topics in Crystal Engineering

    • 1st Edition
    • Kari Rissanen
    • English
    Hot Topics in Crystal Engineering covers the design and synthesis of single crystalline solid-state materials, their properties and applications, focusing on the understanding and use of intermolecular interactions that constitute single crystalline materials. Many of the most modern materials, such as metal-organic frameworks (MOFs) capable of gas storage and separation, and selective entrapment of harmful substances, are the result of the rational use of crystal engineering. Topics covered in this work highlight breakthroughs in this rapidly developing field. This work offers a carefully chosen cross-section of the latest developments, some in their early infancy and some covered for the first time.

  • NMR of Paramagnetic Molecules

    Applications to Metallobiomolecules and Models
    • 2nd Edition
    • Volume 2
    • Ivano Bertini + 3 more
    • English
    NMR of Paramagnetic Molecules: Applications to Metallobiomolecules and Models, Second Edition is a self-contained, comprehensive reference for chemists, physicists, and life scientists whose research involves analyzing paramagnetic compounds. Since the previous edition of this book was published, there have been many advancements in the field of paramagnetic NMR spectroscopy. This completely updated and expanded edition contains the latest fundamental theory and methods for mastery of this analytical technique. Users will learn how to interpret the NMR spectra of paramagnetic molecules, improve experimental techniques, and strengthen their understanding of the underlying theory and applications.

  • Sulfur

    Its Significance for Chemistry, for the Geo-, Bio-, and Cosmosphere and Technology
    • 1st Edition
    • Volume 5
    • A. Müller + 1 more
    • English
    Sulfur: Its Significance for Chemistry, for the Geo-, Bio- and Cosmosphere and Technology focuses on the significance of sulfur for chemistry, geosphere, biosphere, cosmosphere, and technology. Topics covered range from the geochemistry and natural cycle of sulfur to the role of sulfur in "black powder". Organometallic sulfur compounds, thiolates, and the spectroscopic effects of sulfur chemistry are also discussed. Comprised of 21 chapters, this volume begins with an introduction to elemental sulfur and related homocyclic compounds and ions, focusing on their preparation, molecular and crystal structures, molecular spectra, and thermodynamic properties. Subsequent chapters deal with the origin and natural cycle of sulfur in the earth's crust; the role of sulfur in the reactions of exploding gunpowder; the use of sulfur in artwork; and developments in the field of organic sulfur chemistry. The catalytic properties of metal complexes of sulfur and sulfur-nitrogen compounds are also examined, along with the synthetic aspects of sulfido-complexes of molybdenum and tungsten. The final section is devoted to the role of sulfur in microbiology, biochemistry, and medicine. This monograph will be useful to students, practitioners, and researchers in the field of inorganic chemistry, as well as those who are interested in sulfur and its compounds.

  • Principles and Applications of Quantum Chemistry

    • 1st Edition
    • V.P. Gupta
    • English
    Principles and Applications of Quantum Chemistry offers clear and simple coverage based on the author’s extensive teaching at advanced universities around the globe. Where needed, derivations are detailed in an easy-to-follow manner so that you will understand the physical and mathematical aspects of quantum chemistry and molecular electronic structure. Building on this foundation, this book then explores applications, using illustrative examples to demonstrate the use of quantum chemical tools in research problems. Each chapter also uses innovative problems and bibliographic references to guide you, and throughout the book chapters cover important advances in the field including: Density functional theory (DFT) and time-dependent DFT (TD-DFT), characterization of chemical reactions, prediction of molecular geometry, molecular electrostatic potential, and quantum theory of atoms in molecules.

  • Molecular Geometry

    • 1st Edition
    • Alison Rodger + 1 more
    • English
    Molecular Geometry discusses topics relevant to the arrangement of atoms. The book is comprised of seven chapters that tackle several areas of molecular geometry. Chapter 1 reviews the definition and determination of molecular geometry, while Chapter 2 discusses the unified view of stereochemistry and stereochemical changes. Chapter 3 covers the geometry of molecules of second row atoms, and Chapter 4 deals with the main group elements beyond the second row. The book also talks about the complexes of transition metals and f-block elements, and then covers the organometallic compounds and transition metal clusters. The last chapter tackles the consequences of small, local variations in geometry. The text will be of great use to chemists who primarily deal with the properties of molecules and atoms.

  • Proceedings of MEST 2012: Electronic Structure Methods with Applications to Experimental Chemistry

    • 1st Edition
    • Volume 68
    • Philip E. Hoggan
    • English
    Advances in Quantum Chemistry presents surveys of current topics in this rapidly developing field that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry, and biology. It features detailed reviews written by leading international researchers. This volume focuses on the theory of heavy ion physics in medicine.

  • The Chemistry of Ruthenium

    • 1st Edition
    • Volume 19
    • E.A. Seddon + 1 more
    • R. J. H. Clark
    • English
    The Chemistry of Ruthenium is concerned with the chemistry of ruthenium, with emphasis on synthesis and structure. The discussion spans a wide range of fields, from coordination chemistry and organometallic chemistry to structural chemistry (of both molecular and extended lattices), electrochemistry and photochemistry, as well as kinetics and spectroscopy. Comprised of 15 chapters, this book begins with an introduction to the discovery and early history of ruthenium, along with its extraction and purification, isotopes, physical and chemical properties, and applications. The discussion then turns to the concept of oxidation state and a scheme for systematizing descriptive inorganic chemistry together with its applicability to ruthenium chemistry. Subsequent chapters focus on the chemistry of ruthenium(VIII), ruthenium(VII), ruthenium(VI), ruthenium(V), ruthenium(IV), ruthenium(III), ruthenium(II), ruthenium(I), and ruthenium(0). The book also considers ruthenium carbonyl clusters and nitrosyls before concluding with a review of the photophysics and photochemistry of tris(diimine)rutheni... complexes. This monograph will be useful to students, practitioners, and researchers in the field of inorganic chemistry, as well as those who are interested in the chemistry of ruthenium.