Are you looking for read ebook online? Search for your book and save it on your Kindle device, PC, phones or tablets. Download Hydrogen Bonding PDF full book. Access full book title Hydrogen Bonding by Steve Scheiner. Download full books in PDF and EPUB format.
Author: Steve Scheiner Publisher: Oxford University Press ISBN: 0198025092 Category : Science Languages : en Pages : 396
Book Description
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.
Author: Steve Scheiner Publisher: Oxford University Press ISBN: 0198025092 Category : Science Languages : en Pages : 396
Book Description
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.
Author: Sławomir J Grabowski Publisher: Royal Society of Chemistry ISBN: 183916042X Category : Science Languages : en Pages : 487
Book Description
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.
Author: Bernhard Schrader Publisher: John Wiley & Sons ISBN: 3527615423 Category : Science Languages : en Pages : 807
Book Description
This book is an excellent introduction to vibrational spectroscopy for scientists in academia and industry. Both infrared and Raman spectroscopy are covered comprehensively and up-to-date. Therefore the book may also be used as a handbook for easy reference. Written in the language of chemists, it explains the basic theory and instrumentation, the interpretation and evaluation of spectra. Furthermore numerous, worked-out examples of practical applications are presented. Therefore the reader is enabled to apply infrared and Raman spectroscopy for solving his own problem and to design suitable experimental procedures. This book also serves as a guide to the relevant literature
Author: Jaan Laane Publisher: Elsevier ISBN: 0128112212 Category : Science Languages : en Pages : 788
Book Description
Frontiers and Advances in Molecular Spectroscopy once again brings together the most eminent scientists from around the world to describe their work at the cutting-edge of molecular spectroscopy. 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. Going far beyond the topics discussed in Jaan Laane's earlier book on the subject, these chapters describe new methodologies and applications, instrumental developments and theory, which are taking spectroscopy into still new frontiers. The robust range of topics once again demonstrates the wide utility of spectroscopic techniques. New topics include ultrafast spectroscopy of the transition state, SERS/far-uv spectroscopy, femtosecond coherent anti-Stokes Raman spectroscopy, high-resolution laser induced fluorescence spectroscopy, Raman spectroscopy and biosensors, vibrational optical activity, ultrafast two-dimensional spectroscopy, biology with x-ray lasers, isomerization dynamics and hydrogen bonding, single molecule imaging, spectra of intermediates, matrix isolation spectroscopy and more. - Covers spectroscopic investigations on the cutting edge of science - Written and edited by leading experts in their respective fields - Allows researchers to access a broad range of essential modern spectroscopy content from a single source rather than wading through hundreds of scattered journal articles
Author: Hubertus Kleeberg Publisher: Springer Science & Business Media ISBN: 3642727018 Category : Science Languages : en Pages : 309
Book Description
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.
Author: Pierre L. Huyskens Publisher: Springer Science & Business Media ISBN: 3642762603 Category : Science Languages : en Pages : 490
Book Description
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.
Author: Steve Scheiner Publisher: Springer ISBN: 3319141635 Category : Science Languages : en Pages : 528
Book Description
Computational methods, and in particular quantum chemistry, have taken the lead in our growing understanding of noncovalent forces, as well as in their categorization. This volume describes the current state of the art in terms of what we now know, and the current questions requiring answers in the future. Topics range from very strong (ionic) to very weak (CH--π) interactions. In the intermediate regime, forces to be considered are H-bonds, particularly CH--O and OH--metal, halogen, chalcogen, pnicogen and tetrel bonds, aromatic stacking, dihydrogen bonds, and those involving radicals. Applications include drug development and predictions of crystal structure.
Author: Amnon Kohen Publisher: CRC Press ISBN: 1420028022 Category : Medical Languages : en Pages : 1092
Book Description
The field of isotope effects has expanded exponentially in the last decade, and researchers are finding isotopes increasingly useful in their studies. Bringing literature on the subject up to date, Isotope Effects in Chemistry and Biology covers current principles, methods, and a broad range of applications of isotope effects in the physical, biolo
Author: Matthew John Almond Publisher: ISBN: Category : Science Languages : en Pages : 552
Book Description
Intended as a standard reference in the subject of matrix isolation spectroscopy. Leads the reader logically through experimental techniques, physical processes in matrices, photochemistry in matrices, low energy species and interconversions, high-energy species, atoms and small clusters, astrochemistry and atmospheric processes. Also, a unique feature is a detailed compilation of the results of matrix-isolation experiments in the decade of 1977-1986.
Author: Steve Scheiner
Author: Steve Scheiner
Author: Sławomir J Grabowski
Author: Bernhard Schrader
Author: Jaan Laane
Author: Hubertus Kleeberg
Author: Pierre L. Huyskens
Author: Steve Scheiner
Author: 
Author: Amnon Kohen
Author: Matthew John Almond