{"product_id":"theoretical-treatments-of-hydrogen-bonding-isbn-9780471973959","title":"Theoretical Treatments of Hydrogen Bonding","description":"Hydrogen bonding is crucial in many chemical and biochemical reactions, as well as in determining material properties. A good insight into the theoretical methods of treating hydrogen bonding is essential for those wishing to model its effects computationally in a wide range of fields involving hydrogen bonding, as well as those wishing to extract the maximal amount of information from experimental data. Theoretical Treatments of Hydrogen Bonding presents the reader with the state of the art of the key theoretical approaches to hydrogen bonding and considers the hydrogen bond from the various aspects. The first five chapters are devoted to the methods used for treating the electronic basis of hydrogen bonding, including a consideration of the electrostatic model, density functional theory and molecular orbital methods. Later chapters consider the dynamics of hydrogen bonds with particular attention to the treatment of proton transfer; manifestations of dynamics as reflected in infrared spectra and nuclear magnetic relaxation are also considered. Hydrogen bonding in liquids and solids such as ferroelectrics are included. The book concludes with an epilogue which discusses the likely development of hydrogen bond computations in very large chemical systems. Theoretical Treatments of Hydrogen Bonding offers the reader a comprehensive view of the current theoretical approaches to hydrogen bonding. It is a valuable presentation of theoretical tools useful to those looking for the most appropriate approach for treating a particular problem involving hydrogen bonding.Ein topaktueller Text zu einem zentralen Thema der physikalischen Chemie! In Beiträgen renommierter Autoren sind die neuesten theoretischen Ansätze zur Behandlung von Wasserstoffbrückenbindungen in den verschiedensten Systemen zusammengestellt. Einen besonderen Schwerpunkt bildet die Bedeutung der Wasserstoffbrücken in biologischen Systemen. The Hydrogen Bond: An Electrostatic Interaction?\u003cbr\u003e \u003cbr\u003e (A. Buckingham).\u003cbr\u003e \u003cbr\u003e Ab Initio Methods Applied to Hydrogen-Bonded Systems (J. de Rejdt\u0026amp; F. van Duijneveldt).\u003cbr\u003e \u003cbr\u003e Density Functional Theory and its Application to Hydrogen-BondedSystems (H. Guo, et al.).\u003cbr\u003e \u003cbr\u003e Ab Initio GIAO Magnetic Shielding Tensor for Hydrogen-BondedSystems (J. Hinton \u0026amp; K. Wolinski).\u003cbr\u003e \u003cbr\u003e Hydrogen Bonding by Semiempirical Molecular Orbital Methods (D.Hadzi \u0026amp; J. Koller).\u003cbr\u003e \u003cbr\u003e Simulating Proton Transfer Processes: Quantum Dynamics Embedded ina Classical Environment (H. Berendsen \u0026amp; J. Mavri).\u003cbr\u003e \u003cbr\u003e Theory of Solvent Effects and the Description of ChemicalReactions: Proton and Hydride Transfer Processes (O. Tapia, etal.).\u003cbr\u003e \u003cbr\u003e Infrared Spectra of Hydrogen Bonds: Basic Theories, Indirect andDirect Relaxation Mechanisms in Weak Hydrogen-Bonded Systems (O.Henri-Rousseau \u0026amp; P. Blaise).\u003cbr\u003e \u003cbr\u003e Infrared Pump-Probe Spectroscopy of Water on Pico- andSubpicosecond Time Scales (S. Bratos \u0026amp; A. Laubereau).\u003cbr\u003e \u003cbr\u003e Hydrogen Bonding and Nuclear Magnetic Relaxation in Liquids (H.Hertz).\u003cbr\u003e \u003cbr\u003e Collective Behavior of Hydrogen Bonds in Ferroelectrics and ProtonGlasses (R. Blinc \u0026amp; R. Pirc).\u003cbr\u003e \u003cbr\u003e Computational Experiments on Hydrogen-Bonded Systems: From GasPhase to Solutions (E. Clementi \u0026amp; G. Corongiu).\u003cbr\u003e \u003cbr\u003e Epilogue: On Hydrogen-Bond Computations in Very Large ChemicalSystems (E. Clementi).\u003cbr\u003e \u003cbr\u003e Indexes.\u003cbr\u003e \u003cbr\u003e List of Compounds and Hydrogen-Bonded Systems. The Hydrogen bond: An electrostatic Interaction?;\u003cbr\u003e Ab initio methods applied to hydrogen bonded systems;\u003cbr\u003e Density functional theory and it's application to hydrogen bonded systems;\u003cbr\u003e Ab initio GIAO magnetic shielding tensor for hydrogen bonded systems;\u003cbr\u003e Hydrogen bonding by semiempirical molecular orbital methods;\u003cbr\u003e Simulating proton transfer processes: quantum dynamics embedded in a classical environment;\u003cbr\u003e Theory of solvent effects and the description of chemical reactions. Proton and hydride transfer processes;\u003cbr\u003e Infrared spectra of hydrogen bonds: basic theories;\u003cbr\u003e Infrared pump-probe spectroscopy of water on pico and subpicosecond time scales;\u003cbr\u003e Hydrogen bonding and nuclear magnetic relaxation in liquids;\u003cbr\u003e Collective behaviour of hydrogen bonds in ferroelectrics and proton gasses;\u003cbr\u003e Computational experiments on hydrogen bonded systems: from gas phase to solutions;\u003cbr\u003e On hydrogen bond computations in very large chemical systems.  \u003cp\u003eDuaan Had~i is the author of Theoretical Treatments of Hydrogen Bonding, published by Wiley.  Hydrogen bonding is crucial in many chemical and biochemical reactions, as well as in determining material properties. A good insight into the theoretical methods of treating hydrogen bonding is essential for those wishing to model its effects computationally in a wide range of fields involving hydrogen bonding, as well as those wishing to extract the maximal amount of information from experimental data. Theoretical Treatments of Hydrogen Bonding presents the reader with the state of the art of the key theoretical approaches to hydrogen bonding and considers the hydrogen bond from the various aspects. The first five chapters are devoted to the methods used for treating the electronic basis of hydrogen bonding, including a consideration of the electrostatic model, density functional theory and molecular orbital methods. Later chapters consider the dynamics of hydrogen bonds with particular attention to the treatment of proton transfer; manifestations of dynamics as reflected in infrared spectra and nuclear magnetic relaxation are also considered. Hydrogen bonding in liquids and solids such as ferroelectrics are included. The book concludes with an epilogue which discusses the likely development of hydrogen bond computations in very large chemical systems. Theoretical Treatments of Hydrogen Bonding offers the reader a comprehensive view of the current theoretical approaches to hydrogen bonding. It is a valuable presentation of theoretical tools useful to those looking for the most appropriate approach for treating a particular problem involving hydrogen bonding.\u003c\/p\u003e","brand":"Wiley","offers":[{"title":"Default Title","offer_id":47990379184357,"sku":"NP9780471973959","price":486.95,"currency_code":"USD","in_stock":false}],"thumbnail_url":"\/\/cdn.shopify.com\/s\/files\/1\/1842\/7735\/files\/9780471973959.jpg?v=1761787587","url":"https:\/\/k12savings.com\/es\/products\/theoretical-treatments-of-hydrogen-bonding-isbn-9780471973959","provider":"K12savings","version":"1.0","type":"link"}