Download or read book Spectroscopy and Computation of Hydrogen BondedSystems written by Marek J. Wójcik and published by John Wiley & Sons. This book was released on 2023-03-27 with total page 548 pages. Available in PDF, EPUB and Kindle. Book excerpt: Comprehensive spectroscopic view of the state-of the-art in theoretical and experimental hydrogen bonding research Spectroscopy and Computation of Hydrogen-Bonded Systems includes diverse research efforts spanning the frontiers of hydrogen bonding as revealed through state-of-the-art spectroscopic and computational methods, covering a broad range of experimental and theoretical methodologies used to investigate and understand hydrogen bonding. The work explores the key quantitative relationships between fundamental vibrational frequencies and hydrogen-bond length/strength and provides an extensive reference for the advancement of scientific knowledge on hydrogen-bonded systems. Theoretical models of vibrational landscapes in hydrogen-bonded systems, as well as kindred studies designed to interpret intricate spectral features in gaseous complexes, liquids, crystals, ices, polymers, and nanocomposites, serve to elucidate the provenance of spectroscopic findings. Results of experimental and theoretical studies on multidimensional proton transfer are also presented. Edited by two highly qualified researchers in the field, sample topics covered in Spectroscopy and Computation of Hydrogen-Bonded Systems include: Quantum-mechanical treatments of tunneling-mediated pathways in enzyme catalysis and molecular-dynamics simulations of structure and dynamics in hydrogen-bonded systems Mechanisms of multiple proton-transfer pathways in hydrogen-bonded clusters and modern spectroscopic tools with synergistic quantum-chemical analyses Mechanistic investigations of deuterium kinetic isotope effects, ab initio path integral methods, and molecular-dynamics simulations Key relationships that exist between fundamental vibrational frequencies and hydrogen-bond length/strength Analogous spectroscopic and semi-empirical computational techniques examining larger hydrogen-bonded systems Reflecting the polymorphic nature of hydrogen bonding and bringing together the latest experimental and computational work in the field, Spectroscopy and Computation of Hydrogen-Bonded Systems is an essential resource for chemists and other scientists involved in projects or research that intersects with the topics covered within.
Download or read book The Hydrogen Bond Structure and spectroscopy written by Peter Schuster and published by . This book was released on 1976 with total page 536 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Ultrafast Hydrogen Bonding Dynamics and Proton Transfer Processes in the Condensed Phase written by Thomas Elsaesser and published by Springer Science & Business Media. This book was released on 2013-03-14 with total page 193 pages. Available in PDF, EPUB and Kindle. Book excerpt: Hydrogen bonds represent type of molecular interaction that determines the structure and function of a large variety of molecular systems. The elementary dynamics of hydrogen bonds and related proton transfer reactions, both occurring in the ultra fast time domain between 10-14 and 10-11s, form a research topic of high current interest. In this book addressing scientists and graduate students in physics, chemistry and biology, the ultra fast dynamics of hydrogen bonds and proton transfer in the condensed phase are reviewed by leading scientists, documenting the state of the art in this exciting field from the viewpoint of theory and experiment. The nonequilibrium behavior of hydrogen-bonded liquids and intramolecular hydrogen bonds as well as photo induced hydrogen and proton transfer are covered in 7 chapters, making reference to the most recent literature.
Download or read book Dynamics of Nanoscopic Hydrogen Bonding Systems Probed Using Ultrafast Nonlinear Infrared Spectroscopy written by Ivan Ratko Piletic and published by . This book was released on 2006 with total page 226 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book The Hydrogen Bond written by George C. Pimentel and published by . This book was released on 1960 with total page 504 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Hydrogen Bonding written by Steve Scheiner and published by Oxford University Press. This book was released on 1997-09-04 with total page 396 pages. Available in PDF, EPUB and Kindle. Book excerpt: Because of the importance of the hydrogen bond, there have been scores of insights gained about its fundamental nature by quantum chemical computations over the years. Such methods can probe subtle characteristics of the electronic structure and examine regions of the potential energy surface that are simply not accessible by experimental means. The maturation of the techniques, codes, and computer hardware have permitted calculations of unprecedented reliability and rivaling the accuracy of experimental data. This book strives first toward an appreciation of the power of quantum chemistry to analyze the deepest roots of the hydrogen bond phenomenon. It offers a systematic and understandable account of decades of such calculations, focusing on the most important findings. This book provides readers with the tools to understand the original literature, and to perhaps carry out some calculations of their very own on systems of interest.
Download or read book Proton Transfer in Hydrogen Bonded Systems written by T. Bountis and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 360 pages. Available in PDF, EPUB and Kindle. Book excerpt: Charge transport through the transfer of protons between molecules has long been recognized as a fundamental process, which plays an important role in many chemical reactions. In particular, proton transfer through Hydrogen (H-) bonds has been identified as the main mechanism, via which many bio logical functions are performed and many properties of such basic substances as proteins and ice can be understood. In this volume, several of these important aspects of the H-bond are rep resented. As the division in different sections already indicates, present day research in proton teansfer in biochemistry, biology, and the physics of water and ice remains highly active and very exciting. Nearly a decade ago, a novel approach to the study of collective proton motion in H-bonded systems was proposed, in which this phenomenon was explained by the propagation of certain coherent structures called solitons. In the years that followed, the approach ofsoliton dynamics was further extended and developed by many researchers around the world, into a legitimate and useful method for the analysis of proton transfer in H-bonded systems. Dr. Stephanos Pnevmatikos, the original Director of this ARW, was one of the pioneers in the application ofsoliton ideas to the study ofcharge transport through H-bonds. Having used similar concepts himself in his research on 2D lattices) he was convinced energy transfer through molecular chains (and that solitons can play an important role in enhancing our understanding of protonic conductivity.
Download or read book The Hydrogen Bond Dynamics thermodynamics and special systems written by Peter Schuster and published by . This book was released on 1976 with total page 714 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Hydrogen Bonding New Insights written by Slawomir Grabowski and published by Springer Science & Business Media. This book was released on 2006-10-07 with total page 536 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book uses examples from experimental studies to illustrate theoretical investigations, allowing greater understanding of hydrogen bonding phenomena. The most important topics in recent studies are covered. This volume is an invaluable resource that will be of particular interest to physical and theoretical chemists, spectroscopists, crystallographers and those involved with chemical physics.
Download or read book Hydrogen Bonding and Transfer in the Excited State written by Ke-Li Han and published by John Wiley & Sons. This book was released on 2011-03-16 with total page 1229 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book gives an extensive description of the state-of-the-art in research on excited-state hydrogen bonding and hydrogen transfer in recent years. Initial chapters present both the experimental and theoretical investigations on the excited-state hydrogen bonding structures and dynamics of many organic and biological chromophores. Following this, several chapters describe the influences of the excited-state hydrogen bonding on various photophysical processes and photochemical reactions, for example: hydrogen bonding effects on fluorescence emission behaviors and photoisomerization; the role of hydrogen bonding in photosynthetic water splitting; photoinduced electron transfer and solvation dynamics in room temperature ionic liquids; and hydrogen bonding barrier crossing dynamics at bio-mimicking surfaces. Finally, the book examines experimental and theoretical studies on the nature and control of excited-state hydrogen transfer in various systems. Hydrogen Bonding and Transfer in the Excited State is an essential overview of this increasingly important field of study, surveying the entire field over 2 volumes, 40 chapters and 1200 pages. It will find a place on the bookshelves of researchers in photochemistry, photobiology, photophysics, physical chemistry and chemical physics.
Download or read book Understanding Hydrogen Bonds written by Sławomir J Grabowski and published by Royal Society of Chemistry. This book was released on 2020-11-13 with total page 483 pages. Available in PDF, EPUB and Kindle. Book excerpt: Hydrogen bonded systems play an important role in all aspects of science but particularly chemistry and biology. Notably, the helical structure of DNA is heavily reliant on the hydrogens bonds between the DNA base pairs. Although the area of hydrogen bonding is one that is well established, our understanding has continued to develop as the power of both computational and experimental techniques has improved. Understanding Hydrogen Bonds presents an up-to-date overview of our theoretical and experimental understanding of the hydrogen bond. Well-established and novel approaches are discussed, including quantum theory of ‘atoms in molecules’ (QTAIM); the electron localization function (ELF) method and Car–Parinnello molecular dynamics; the natural bond orbital (NBO) approach; and X-ray and neutron diffraction and spectroscopy. The mechanism of hydrogen bond formation is described and comparisons are made between hydrogen bonds and other types of interaction. The author also takes a look at new types of interaction that may be classified as hydrogen bonds with a focus on those with multicentre proton acceptors or with multicentre proton donors. Understanding Hydrogen Bonds is a valuable reference for experimentalists and theoreticians interested in updating their understanding of the types of hydrogen bonds, their role in chemistry and biology, and how they can be studied.
Download or read book Hydrogen Bonding written by Serge N. Vinogradov and published by . This book was released on 1971 with total page 344 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Recent Theoretical and Experimental Advances in Hydrogen Bonded Clusters written by S.S. Xantheas and published by Springer. This book was released on 2010-12-15 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: The importance of hydrogen bond interactions in many chemical and biological processes such as aqueous solvation and reaction, atmospheric aerosol formation and reactivity, and enzyme functionality has fueled an increasing interest in the field of hydrogen bonded liquids. Clusters of hydrogen bonded systems serve as prototypes in obtaining a molecular level understanding of their stability and chemical reactivity via the exploration of their structural and dynamical properties. Since they probe the fundamental interactions at the molecular level, they furthermore offer the advantage of serving as guidelines/benchmarks in the development of comprehensive models used to simulate the measured macroscopic properties of condensed phase environments. To this end, theory and experiment enter as equal partners in the effort to provide a broader picture of the nature of the hydrogen bond in clusters with the ultimate goal of modeling processes in condensed phase environments of these systems. Theory is needed in order to provide a vehicle for the interpertation of the experimental measurements and, in turn, experimental validation of the theoretical propositions strengthens their credibility.
Download or read book Hydrogen Bonding in Biological Structures written by George A. Jeffrey and published by Springer. This book was released on 1991-06-14 with total page 592 pages. Available in PDF, EPUB and Kindle. Book excerpt: Kenyatta Shakur is alone. His wife has died, and now, this former Black Revolutionary and political prisoner, is desperate to reconnect with his estranged daughter Nina. If Kenyatta truly wants to reconcile his past, he must first conquer his most challenging revolution of all ¿ fatherhood. Sunset Baby is an energised, vibrant and witty look at the point where the personal and political collide. One of the most exciting and distinctive undiscovered voices in America.
Download or read book Hydrogen bonded Capsules written by Julius Rebek Jr. and published by World Scientific. This book was released on 2015-09-23 with total page 220 pages. Available in PDF, EPUB and Kindle. Book excerpt: This monograph describes the behavior of molecules confined to small spaces. The small spaces are created by the self-assembly of modules into hollow capsular structures through hydrogen bonding; capsules assembled by metal/ligand binding or other forces are not included. Topics discussed include how assembly of capsules occurs, how molecules get in and out of the capsules, new spatial arrangements (stereochemistry) created in the capsules, and the altered shapes, interactions and reactivities of molecules held inside the small spaces. The descriptions emphasize molecular recognition phenomena and the perspective is that of physical organic chemistry. The book is the first monograph to treat reversible molecular encapsulation. More than 20 university and institute groups worldwide engage in this research, which represents the leading edge of activity in molecular recognition and the physical organic chemistry of confined molecules. Contents:Spherical and Similar CapsulesCalixarene CapsulesThe Cylindrical CapsuleHexameric Capsules from Resorcinarenes and PyrogallolarenesStereochemistry of Confined MoleculesChiral CapsulesExpanded and Contracted CapsulesReactions Inside Capsules Readership: Graduate students and researchers in physical organic chemistry, nanotechnology and nanoscience and materials science. Keywords:Capsules;Encapsulation;Recognition;Reactivity;Stereochemistry;Resorcinarenes;Calixarenes;Dynamics;ThermodynamicsKey Features:The last monograph to deal with molecules inside molecules was published in 1994. Hydrogen bonded capsules have been invented since that time and this monograph summarizes the results of more than 100 publications in this fieldMolecules in small spaces behave differently than those that are free in solution; this monograph reveals these new behaviors and draws parallels to the related behavior of small molecules confined in enzymes and biological receptorsThe monograph provides recipes for construction of molecular devices at the sub-nano scale. The principles of self-assembly are involved and offer applications in nanoscience using an approach "from the bottom up"
Download or read book Hydrogen Bonded Supramolecular Structures written by Zhan-Ting Li and published by Springer. This book was released on 2015-01-12 with total page 357 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book covers the advances in the studies of hydrogen-bonding-driven supramolecular systems made over the past decade. It is divided into four parts, with the first introducing the basics of hydrogen bonding and important hydrogen bonding patterns in solution as well as in the solid state. The second part covers molecular recognition and supramolecular structures driven by hydrogen bonding. The third part introduces the formation of hollow and giant macrocycles directed by hydrogen bonding, while the last part summarizes hydrogen bonded supramolecular polymers. This book is designed to bring together in a single volume the many important aspects of hydrogen bonding supramolecular chemistry and will be a valuable resource for graduates and researchers working in supramolecular and related sciences. Zhan-Ting Li, PhD, is a Professor of Organic Chemistry at the Department of Chemistry, Fudan University, China. Li-Zhu Wu, PhD, is a Professor of Organic Chemistry at the Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, China.
Download or read book Hydrogen Bonding by C H Groups written by Robert D. Green and published by London : Macmillan. This book was released on 1974 with total page 232 pages. Available in PDF, EPUB and Kindle. Book excerpt:
