Spectroscopic Investigations Of Hydrogen Bond Network Structures In Water Clusters
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Spectroscopic Investigations Of Hydrogen Bond Network Structures In Water Clusters
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Author : Springer
language : en
Publisher:
Release Date : 2013-01-22
Spectroscopic Investigations Of Hydrogen Bond Network Structures In Water Clusters written by Springer and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-01-22 with categories.
Spectroscopic Investigations Of Hydrogen Bond Network Structures In Water Clusters
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Author : Kenta Mizuse
language : en
Publisher: Springer Science & Business Media
Release Date : 2013-01-22
Spectroscopic Investigations Of Hydrogen Bond Network Structures In Water Clusters written by Kenta Mizuse and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-01-22 with Science categories.
The properties and nature of water clusters studied with novel spectroscopic approaches are presented in this thesis. Following a general introduction on the chemistry of water and water clusters, detailed descriptions of the experiments and analyses are given. All the experimental results, including first size-selective spectra of large clusters consisting of 200 water molecules, are presented with corresponding analyses. Hitherto unidentified hydrogen bond network structures, dynamics, and reactivity of various water clusters have been characterized at the molecular level. The main targets of this book are physical chemists and chemical physicists who are interested in water chemistry or cluster chemistry.
Hydrogen Bond Research
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Author : Peter Schuster
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06
Hydrogen Bond Research written by Peter Schuster and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-12-06 with Science categories.
Seven review articles and original papers provide a representative overview of the research work done in hydrogen bond research at Austrian universities. The topics covered by the contributions are: state-of-the-art of understanding hydrogen bonding in biopolymers; recent NMR techniques for studying hydrogen bonding in aqueous solutions; intramolecular hydrogen bonding and proton transfer in a class of Mannich bases derived from substituted phenols and naphthols; competition between intramolecular hydrogen bonds in ortho-disubstituted phenols; molecular dynamic simulations on proton transfer in 5,8-dihydroxynaphthoquinone and in the formic acid dimer; accurate calculations of the intermolecular interactions in cyanoacetylen dimers; correlation between OH...O bond distances and OH stretching frequencies as derived from structural and spectroscopic data of minerals.
Non Covalent Interactions
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Author : Pavel Hobza
language : en
Publisher: Royal Society of Chemistry
Release Date : 2010
Non Covalent Interactions written by Pavel Hobza and has been published by Royal Society of Chemistry this book supported file pdf, txt, epub, kindle and other format this book has been release on 2010 with Science categories.
Co-authored by an experimentalist (Klaus M3ller-Dethlefs ) and theoretician (Pavel Hobza), the aim of this book is to provide a general introduction into the science behind non-covalent interactions and molecular complexes using some important experimental and theoretical methods and approaches.
Physical Chemistry Of Cold Gas Phase Functional Molecules And Clusters
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Author : Takayuki Ebata
language : en
Publisher: Springer
Release Date : 2019-08-02
Physical Chemistry Of Cold Gas Phase Functional Molecules And Clusters written by Takayuki Ebata and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2019-08-02 with Science categories.
This book describes advanced research on the structures and photochemical properties of polyatomic molecules and molecular clusters having various functionalities under cold gas-phase conditions. Target molecules are crown ethers, polypeptides, large size protonated clusters, metal clusters, and other complex polyatomic molecules of special interest. A variety of advanced frequency and time-domain laser spectroscopic methods are applied. The book begins with the principle of an experimental setup for cold gas-phase molecules and various laser spectroscopic methods, followed by chapters on investigation of specific molecular systems. Through a molecular-level approach and analysis by quantum chemical calculation, it is possible to learn how atomic and molecular-level interactions (van der Waals, hydrogen-bonding, and others) control the specific properties of molecules and clusters. Those properties include molecular recognition, induced fitting, chirality, proton and hydrogen transfer, isomerization, and catalytic reaction. The information will be applicable to the design of new types of functional molecules and nanoparticles in the broad area that includes applied chemistry, drug delivery systems, and catalysts.
Hydrogen Bonding New Insights
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Author : Slawomir Grabowski
language : en
Publisher: Springer Science & Business Media
Release Date : 2006-10-07
Hydrogen Bonding New Insights written by Slawomir Grabowski and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2006-10-07 with Science categories.
Hydrogen Bonding – New Insights is an extensive text which takes numerous examples from experimental studies and uses these to illustrate theoretical investigations to allow a greater understanding of hydrogen bonding phenomenon. The most important topics in recent studies are considered including: Intra-molecular H-bonds Differences between H-bond and van der Waals interactions from one side and covalent bonds from the other Bader theory to analyze H-bonding Influence of weak H-bonds upon structure and function of biological molecules H-bonds in crystal structures With contributions from some of the foremost experts in this field this volume provides an invaluable resource for all members of the academic community looking for a comprehensive text on hydrogen bonding. It will be of particular interest to physical and theoretical chemists, spectroscopists, crystallographers and those involved with chemical physics.
Spectroscopy And Computation Of Hydrogen Bonded Systems
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Author : Marek J. Wójcik
language : en
Publisher: John Wiley & Sons
Release Date : 2022-12-27
Spectroscopy And Computation Of Hydrogen Bonded Systems written by Marek J. Wójcik and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2022-12-27 with Science categories.
Spectroscopy and Computation of Hydrogen-Bonded Systems 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 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.
Nuclear Magnetic Resonance Studies Of Interfacial Phenomena
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Author : Vladimir M. Gun'ko
language : en
Publisher: CRC Press
Release Date : 2013-04-08
Nuclear Magnetic Resonance Studies Of Interfacial Phenomena written by Vladimir M. Gun'ko and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-04-08 with Science categories.
Properties and applications of high surface area materials depend on interfacial phenomena, including diffusion, sorption, dissolution, solvation, surface reactions, catalysis, and phase transitions. Among the physicochemical methods that give useful information regarding these complex phenomena, nuclear magnetic resonance (NMR) spectroscopy is the
Density Functional Theory
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Author : Daniel Glossman-Mitnik
language : en
Publisher: BoD – Books on Demand
Release Date : 2022-05-18
Density Functional Theory written by Daniel Glossman-Mitnik and has been published by BoD – Books on Demand this book supported file pdf, txt, epub, kindle and other format this book has been release on 2022-05-18 with Science categories.
Density Functional Theory (DFT) is a powerful technique for calculating and comprehending the molecular and electrical structure of atoms, molecules, clusters, and solids. Its use is based not only on the capacity to calculate the molecular characteristics of the species of interest but also on the provision of interesting concepts that aid in a better understanding of the chemical reactivity of the systems under study. This book presents examples of recent advances, new perspectives, and applications of DFT for the understanding of chemical reactivity through descriptors forming the basis of Conceptual DFT as well as the application of the theory and its related computational procedures in the determination of the molecular properties of different systems of academic, social, and industrial interest.
Molecular Basics Of Liquids And Liquid Based Materials
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Author : Katsura Nishiyama
language : en
Publisher: Springer Nature
Release Date : 2022-01-03
Molecular Basics Of Liquids And Liquid Based Materials written by Katsura Nishiyama and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2022-01-03 with Science categories.
This book sheds light on the molecular aspects of liquids and liquid-based materials such as organic or inorganic liquids, ionic liquids, proteins, biomaterials, and soft materials including gels. The reader discovers how the molecular basics of such systems are connected with their properties, dynamics, and functions. Once the use and application of liquids and liquid-based materials are understood, the book becomes a source of the latest, detailed knowledge of their structures, dynamics, and functions emerging from molecularity. The systems discussed in the book have structural dimensions varying from nanometers to millimeters, thus the precise estimation of structures and dynamics from experimental, theoretical, and simulation methods is of crucial importance. Outlines of the practical knowledge needed in research and development are helpfully included in the book.