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Horizons In Hydrogen Bond Research
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Book Synopsis Hydrogen Bond Networks by : M.C. Bellissent-Funel
Download or read book Hydrogen Bond Networks written by M.C. Bellissent-Funel and published by Springer Science & Business Media. This book was released on 2013-04-17 with total page 564 pages. Available in PDF, EPUB and Kindle. Book excerpt: The almost universal presence of water in our everyday lives and the very `common' nature of its presence and properties possibly deflects attention from the fact that it has a number of very unusual characteristics which, furthermore, are found to be extremely sensitive to physical parameters, chemical environment and other influences. Hydrogen-bonding effects, too, are not restricted to water, so it is necessary to investigate other systems as well, in order to understand the characteristics in a wider context. Hydrogen Bond Networks reflects the diversity and relevance of water in subjects ranging from the fundamentals of condensed matter physics, through aspects of chemical reactivity to structure and function in biological systems.
Book Synopsis Hydrogen Bonding - New Insights by : Slawomir Grabowski
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.
Book Synopsis Spectroscopy and Computation of Hydrogen-BondedSystems by : Marek J. Wójcik
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.
Book Synopsis The Weak Hydrogen Bond by : Gautam R. Desiraju
Download or read book The Weak Hydrogen Bond written by Gautam R. Desiraju and published by International Union of Crystal. This book was released on 2001 with total page 530 pages. Available in PDF, EPUB and Kindle. Book excerpt: The weak or non-conventional hydrogen bond has been subject of intense scrutiny over recent years in several fields, in particular in structural chemistry, structural biology, and also in the pharmaceutical sciences. There is today a large body of experimental and theoretical evidenceconfirming that hydrogen bonds like C-H...O, N-H...pi, C-H...pi and even bonds like O-H...metal play distinctive roles in molecular recognition, guiding molecular association, and in determining molecular and supramolecular architectures. The relevant compound classes include organometalliccomplexes, organic and bio-organic systems, and also DNA and proteins. The book provides a comprehensive assessment of this interaction type, and is of interest to all those interested in structural and supramolecular science, including fields as crystal engineering and drug design.
Book Synopsis Solvent Extraction by : Vladimir S Kislik
Download or read book Solvent Extraction written by Vladimir S Kislik and published by Elsevier. This book was released on 2011-08-31 with total page 573 pages. Available in PDF, EPUB and Kindle. Book excerpt: The main challenge in modern solvent extraction separation is that most techniques are mainly empirical, specific and particular for narrow fields of practice and require a large degree of experimentation. This concise and modern book provides a complete overview of both solvent extraction separation techniques and the novel and unified competitive complexation/solvation theory. This novel and unified technique presented in the book provides a key for a preliminary quantitative prediction of suitable extraction systems without experimentation, thus saving researchers time and resources. - Analyzes and compares both classical and new competitive models and techniques - Offers a novel and unified competitive complexation / solvation theory that permits researchers to standardize some parameters, which decreases the need for experimentation at R&D - Presents examples of applications in multiple disciplines such as chemical, biochemical, radiochemical, pharmaceutical and analytical separation - Written by an outstanding scientist who is prolific in the field of separation science
Book Synopsis Topics in Stereochemistry by : Ernest L. Eliel
Download or read book Topics in Stereochemistry written by Ernest L. Eliel and published by John Wiley & Sons. This book was released on 2009-09-17 with total page 550 pages. Available in PDF, EPUB and Kindle. Book excerpt: This seminal series, first edited by Ernest Eliel, responsible for some of the major advances in stereochemistry and the winner of the ACS Priestley Medal in 1996, provides coverage of the major developments of the field of stereochemistry. The scope of this series is broadly defined to encompass all fields of chemical and biological sciences that are founded on molecular and supramolecular interactions. Insofar as chemical, physical, and biological properties are determined by molecular shape and structure, the importance of stereochemistry is fundamental to and consequential for all natural sciences. Topics in Stereochemistry serves as a multidisciplinary series that enriches all of chemistry. Aimed at advanced students, university professors and teachers as well as researchers in pharmaceutical, agricultural, biotechnological, polymer, materials, and fine chemical industries, Topics in Stereochemistry publishes definitive and scholarly reviews in stereochemistry and has long been recognized as the gold standard reference work in this field. Covering the effect of chirality on all aspects of molecular interaction from the fundamental physical chemical properties of molecules and their molecular physics to the application of chirality in new areas such as its applications in materials science, Topics in Stereochemistry explores a wide variety of properties, both physical and chemical of isomers with a view to their applications in a number of disciplines from biochemistry to materials science.
Book Synopsis The Hydrogen Bond and the Water Molecule by : Yves Marechal
Download or read book The Hydrogen Bond and the Water Molecule written by Yves Marechal and published by Elsevier. This book was released on 2007-01-11 with total page 344 pages. Available in PDF, EPUB and Kindle. Book excerpt: The water molecule, H20, is one of the most familiar molecules, yet it is considered a molecule with almost no interest and which can be consequently ignored. The aim of this book is to present our present view of this molecule, in the hope that it is no longer ignored where it intervenes, and also to show what we still have to learn about it.
Book Synopsis Interactions of Water in Ionic and Nonionic Hydrates by : Hubertus Kleeberg
Download or read book Interactions of Water in Ionic and Nonionic Hydrates written by Hubertus Kleeberg and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 309 pages. Available in PDF, EPUB and Kindle. Book excerpt: There is no doubt about the importance of hydration in many areas of every day life, technology, biology, medicine, science etc. During the last years many investigations have been carried out upon problems of hydration and a large amount of experimental and theoretical data has been obtained by the application of different methods. One effi cient possibility to stimulate progress in scientific problems is to come together and discuss existing results and ideas. This was the aim of the 35th Bunsenkolloquium and a subsequent seminar held in Marburg, FRG from April 2 -4, 1987 with respect to the "Interaction of Water in Ionic and Nonionic Hydrates". The meeting was attended by more than one hundred participants from 25 countries. It will be seen from the content of the chapters in this book, which comprises the introductory papers and more or less extended abstracts of research seminars, that it was possible not only to stress the advantages and disadvantages of each method, but also to show how information gained by one method can complement the results of another one in order to increase our overall understanding of hydration pheno mena. The papers are divided into sections concerning the hydration of: ions, nonionic substances, biological and macromolecular substances, surfactants as well as a section containing methods, models and theo ries, which may stimulate investigations on hydrations.
Book Synopsis Frontiers of Molecular Spectroscopy by : Jaan Laane
Download or read book Frontiers of Molecular Spectroscopy written by Jaan Laane and published by Elsevier. This book was released on 2011-08-11 with total page 741 pages. Available in PDF, EPUB and Kindle. Book excerpt: Much of what we know about atoms, molecules, and the nature of matter has been obtained using spectroscopy over the last one hundred years or so. In this book we have collected together twenty chapters by eminent scientists from around the world to describe their work at the cutting edge of molecular spectroscopy. These chapters describe new methodology and applications, instrumental developments, and theory which is taking spectroscopy into new frontiers. The range of topics is broad. Lasers are utilized in much of the research, but their applications range from sub-femtosecond spectroscopy to the study of viruses and also to the investigation of art and archeological artifacts. Three chapters discuss work on biological systems and three others represent laser physics. The recent advances in cavity ringdown spectroscopy (CRDS), surface enhanced Raman spectroscopy (SERS), two-dimensional correlation spectroscopy (2D-COS), and microwave techniques are all covered. Chapters on electronic excited states, molecular dynamics, symmetry applications, and neutron scattering are also included and demonstrate the wide utility of spectroscopic techniques. - Provides comprehensive coverage of present spectroscopic investigations - Features 20 chapters written by leading researchers in the field - Covers the important role of molecular spectroscopy in research concerned with chemistry, physics, and biology
Book Synopsis Theory of Disordered Solids by : Alessio Zaccone
Download or read book Theory of Disordered Solids written by Alessio Zaccone and published by Springer Nature. This book was released on 2023-06-30 with total page 310 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents a consistent mathematical theory of the non-electronic physical properties of disordered and amorphous solids, starting from the atomic-level dynamics and leading to experimentally verifiable descriptions of macroscopic properties such as elastic and viscoelastic moduli, plasticity, phonons and vibrational spectra, and thermal properties. This theory begins with the assumption of the undeniable existence of an “amorphous lattice”, which allows one to relegate the theoretical uncertainties about the ultimate nature of the glass transition to a subsidiary role and thus take a more pragmatic approach towards the modelling of physical properties. The book introduces the reader not only to the subtle physical concepts underlying the dynamics, mechanics, and statistical physics of glasses and amorphous solids, but also to the essential mathematical and numerical methods that cannot be readily gleaned from specialized literature since they are spread out among many often technically demanding papers. These methods are presented in this book in such a way as to be sufficiently general, allowing for the mathematical or numerical description of novel physical phenomena observed in many different types of amorphous solids (including soft and granular systems), regardless of the atomistic details and particular chemistry of the material. This monograph is aimed at researchers and graduate-level students in physics, materials science, physical chemistry and engineering working in the areas of amorphous materials, soft matter and granular systems, statistical physics, continuum mechanics, plasticity, and solid mechanics. It is also particularly well suited to those working on molecular dynamics simulations, molecular coarse-grained simulations, as well as ab initio atomistic and DFT methods for solid-state and materials science.
Book Synopsis Intermolecular Forces by : Pierre L. Huyskens
Download or read book Intermolecular Forces written by Pierre L. Huyskens and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 490 pages. Available in PDF, EPUB and Kindle. Book excerpt: The study of intermolecular forces began over one hundred years ago in 1873 with the famous thesis of van der Waals. In recent decades, knowledge of this field has expanded due to intensive research into both its theoretical and the experimental aspects. This is particularly true for the type of very strong cohesive force stressed in 1920 by Latimer and Rodebush: the hydrogen bond, a phenomenon already outlined in 1912 by Moore and Winemill. Hydrogen bonds exert a profound influence on most of the physical and chemical properties of the materials in which they are formed. Not only do they govern viscosity and electrical conductivity, they also intervene in the chemical reaction path which determines the kinetics of chemical processes. The properties of chemical substances depend to a large extent on intermolecular forces. In spite of this fundamental fact, too little attention is given to these properties both in research and in university teaching. For instance, in the field of pharmaceutical research, about 13000 compounds need to be studied in order to find a single new product that can be successfully marketed. The recognition of the need to optimize industrial research efficiency has led to a growing interest in promoting the study of inter molecular forces. Rising salary costs in industry have encou raged an interest in theoretical ideas which will lead to tailor made materials.
Book Synopsis Theoretical Modeling of Vibrational Spectra in the Liquid Phase by : Martin Thomas
Download or read book Theoretical Modeling of Vibrational Spectra in the Liquid Phase written by Martin Thomas and published by Springer. This book was released on 2016-12-24 with total page 212 pages. Available in PDF, EPUB and Kindle. Book excerpt: This thesis provides a comprehensive description of methods used to compute the vibrational spectra of liquid systems by molecular dynamics simulations. The author systematically introduces theoretical basics and discusses the implications of approximating the atomic nuclei as classical particles. The strengths of the methodology are demonstrated through several different examples. Of particular interest are ionic liquids, since their properties are governed by strong and diverse intermolecular interactions in the liquid state. As a novel contribution to the field, the author presents an alternative route toward infrared and Raman intensities on the basis of a Voronoi tessellation of the electron density. This technique is superior to existing approaches regarding the computational resources needed. Moreover, this book presents an innovative approach to obtaining the magnetic moments and vibrational circular dichroism spectra of liquids, and demonstrates its excellent agreement with experimental reference data.
Book Synopsis Low-Temperature Chemistry of the Atmosphere by : Geert K. Moortgat
Download or read book Low-Temperature Chemistry of the Atmosphere written by Geert K. Moortgat and published by Springer Science & Business Media. This book was released on 2013-06-29 with total page 547 pages. Available in PDF, EPUB and Kindle. Book excerpt: Presented here are authoritative and up-to-date assessments of the homogenous and heterogenous chemical and physical processes occuring in the troposphere and stratosphere, especially during the "ozone hole" event. The book begins with an overview of atmospheric chemistry, followed by reviews of relevant homogenous reactions in the gas phase and the microphysics and physical chemistry of heterogenous processes that occur on, or in aerosols, rain and ice. Low temperature laboratory studies are compared with related fieldwork measurements, particularly in relation to the formation and composition of polar stratospheric clouds. Also discussed are measurements in glacial ice. Finally chemical modelling of the troposphere and stratosphere, including heterogenous processes, is reviewed.
Download or read book Proceedings in Print written by and published by . This book was released on 1997 with total page 364 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Understanding Hydrogen Bonds by : Sławomir J Grabowski
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 487 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.
Book Synopsis Progress in Molecular Spectroscopy by : Reiner Salzer
Download or read book Progress in Molecular Spectroscopy written by Reiner Salzer and published by Wiley-VCH. This book was released on 1988 with total page 276 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis New Horizons of Quantum Chemistry by : P.-O. Löwdin
Download or read book New Horizons of Quantum Chemistry written by P.-O. Löwdin and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 448 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Fourth International Congress in Quantum Chemistry under the auspices of the International Academy of Molecular Quantum Science in Menton, France was arranged at Uppsala University, Uppsala, Sweden, during the period June 14 - 19, 1982, in close collaboration with the University of Florida. The previous congresses were held in Menton 1973, New Orleans 1976, and Kyoto 1979, and the 1985 congress is tentatively planned to be held in the province of Quebec, Canada. The Congress consisted of six symposia in various areas of quantum chemistry, solid-state theory, and quantum bi ology. The meeting was attended by about 450 scientists from 45 different nations, and a total of more than 300 scientific papers were presented. Even the poster contri butions were given some plenary time. These proceedings contain the text of the plenary lec tures as well as the chairmen's introductions, whereas the contributed papers will be published in the International Journal of Quantum Chemistry, (John Wiley & Sons, New York) in the regular January - April 1983 issues.
