Conformations
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Structures And Conformations Of Non Rigid Molecules
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Author : J. Laane
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06
Structures And Conformations Of Non Rigid Molecules written by J. Laane 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.
From the beginnings of modern chemistry, molecular structure has been a lively area of research and speculation. For more than half a century spectroscopy and other methods have been available to characterize the structures and shapes of molecules, particularly those that are rigid. However, most molecules are at least to some degree non-rigid and this non-rigidity plays an important role in such diverse areas as biological activity, energy transfer, and chemical reactivity. In addition, the large-amplitude vibrations present in non-rigid molecules give rise to unusual low-energy vibrational level patterns which have a dramatic effect on the thermodynamic properties of these systems. Only in recent years has a coherent picture of the energetics and dynamics of the conformational changes inherent in non-rigid (and semi-rigid) molecules begun to emerge. Advances have been made in a number of different experimental areas: vibrational (infrared and Raman) spectroscopy, rotational (microwave) spectroscopy, electron diffraction, and, most recently, laser techniques probing both the ground and excited electronic states. Theoretically, the proliferation of powerful computers coupled with scientific insight has allowed both empirical and ab initio methods to increase our understanding of the forces responsible for the structures and energies of non-rigid systems. The development of theory (group theoretical methods and potential energy surfaces) to understand the unique characteristics of the spectra of these floppy molecules has also been necessary to reach our present level of understanding. The thirty chapters in this volume contributed by the key speakers at the Workshop are divided over the various areas. Both vibrational and rotational spectroscopy have been effective at determining the potential energy surfaces for non-rigid molecules, often in a complementary manner. Recent laser fluorescence work has extended these types of studies to electronic excited states. Electronic diffraction methods provide radial distribution functions from which both molecular structures and compositions of conformational mixtures can be found. Ab initio calculations have progressed substantially over the past few years, and, when carried out at a sufficiently high level, can accurately reproduce (or predict ahead of time) experimental findings. Much of the controversy of the ARW related to the question of when an ab initio is reliable. Since the computer programs are readily available, many poor calculations have been carried out. However, excellent results can be obtained from computations when properly done. A similar situation exists for experimental analyses. The complexities of non-rigid molecules are many, but major strides have been taken to understand their structures and conformational processes.
Conformations
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Author : Alan E. Tonelli
language : en
Publisher: CRC Press
Release Date : 2020-04-06
Conformations written by Alan E. Tonelli and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-04-06 with Science categories.
Among the materials found in Nature’s many diverse living organisms or produced by human industry, those made from polymers are dominant. In Nature, they are not only dominant, but they are, as well, uniquely necessary to life. Conformations: Connecting the Chemical Structures and Material Behaviors of Polymers explores how the detailed chemical structures of polymers can be characterized, how their microstructural-dependent conformational preferences can be evaluated, and how these conformational preferences can be connected to the behaviors and properties of their materials. The authors examine the connections between the microstructures of polymers and the rich variety of physical properties they evidence. Detailed polymer architectures, including the molecular bonding and geometries of backbone and side-chain groups, monomer stereo- and regiosequences, comonomer sequences, and branching, are explicitly considered in the analysis of the conformational characteristics of polymers. This valuable reference provides practicing materials engineers as well as polymer and materials science students a means of understanding the differences in behaviors and properties of materials made from chemically distinct polymers. This knowledge can assist the reader design polymers with chemical structures that lead to their desired material behaviors and properties.
Modern Conformational Analysis
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Author : Helena Dodziuk
language : en
Publisher: John Wiley & Sons
Release Date : 1996-12-17
Modern Conformational Analysis written by Helena Dodziuk 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 1996-12-17 with Science categories.
Viele Bücher über organische Zusammensetzungen behandeln die Stereochemie, schenken aber der räumlichen Struktur der organischen Moleküle, vor allem der weniger gebräuchlichen, kaum Beachtung. Diese Monographie stellt nun ein umfassendes Werk zur organischen Struktur und der Konformationsanalyse dar. Das Interesse des Autors an der Formenvielfalt der organischen Moleküle spiegelt sich besonders intensiv in der Betrachtung der Molekülordnung wider, die in organisch chemischen und biologischen Systemen von großer Bedeutung ist. Der neue Band in der Reihe 'Methods in Stereochemical Analysis' stellt vor allem diese Bedeutung der Molekülgestalt und die Einwirkung theoretischer Studien und synthetischer Chemie zu diesem Themenkomplex in den Vordergrund.
Conformations And Forces In Protein Folding
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Author : Barry T. Nall
language : en
Publisher:
Release Date : 1991
Conformations And Forces In Protein Folding written by Barry T. Nall and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1991 with Science categories.
Protein Conformation
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Author : Derek J. Chadwick
language : en
Publisher: John Wiley & Sons
Release Date : 2008-04-30
Protein Conformation written by Derek J. Chadwick 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 2008-04-30 with Science categories.
How the amino acid sequence of a protein determines its three-dimensional structure is a major problem in biology and chemistry. Leading experts in the fields of NMR spectroscopy, X-ray crystallography, protein engineering and molecular modeling offer provocative insights into current views on the protein folding problem and various aspects for future progress.
Introduction To Stereochemistry And Conformational Analysis
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Author : Eusebio Juaristi
language : en
Publisher: Wiley-Interscience
Release Date : 1991-10-30
Introduction To Stereochemistry And Conformational Analysis written by Eusebio Juaristi and has been published by Wiley-Interscience this book supported file pdf, txt, epub, kindle and other format this book has been release on 1991-10-30 with Science categories.
This textbook covers the most important aspects of what remains an actively changing area of knowledge. Topics include chirality, the determination of absolute configurations, stereochemical descriptors, chiroptic properties, asymmetric synthesis, and the resolution of racemates.
Organic Chemistry Workbook Series Volume 4 Conformations
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Author : Glenn Sammis
language : en
Publisher: ORCA Workbooks Publishing
Release Date :
Organic Chemistry Workbook Series Volume 4 Conformations written by Glenn Sammis and has been published by ORCA Workbooks Publishing this book supported file pdf, txt, epub, kindle and other format this book has been release on with Science categories.
The idea of conformation, or orientation of molecular shapes in space, is a fundamental concept in organic chemistry. Are you gauche enough to admit that you can’t tell a chair from a boat? This workbook, written by two award-winning instructors from the University of British Columbia, will help you identify and, more importantly, draw critical views and shapes such as the Newman projection, the anti and gauche conformations of alkanes and cyclohexane ring-flipping between one chair form and another. This workbook can be used in conjunction with any textbook.
Conformation Theory
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Author : Michael Hanack
language : en
Publisher:
Release Date : 1965
Conformation Theory written by Michael Hanack and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1965 with Science categories.
Quantum Mechanics Of Molecular Conformations
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Author : Bernard Pullman
language : en
Publisher: John Wiley & Sons
Release Date : 1976
Quantum Mechanics Of Molecular Conformations written by Bernard Pullman 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 1976 with Science categories.
Stereochemistry Conformation And Mechanism
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Author : P. S. Kalsi
language : en
Publisher: New Age International
Release Date : 2008
Stereochemistry Conformation And Mechanism written by P. S. Kalsi and has been published by New Age International this book supported file pdf, txt, epub, kindle and other format this book has been release on 2008 with Stereochemistry categories.
Stereochemistry has always occupied a central position and is pivotal to the practice of organic chemistry. A solid understanding of this subject is indeed critical to subsequent success in a science career. Stereochemistry is, therefore, a core constituent both at the undergraduate and postgraduate chemistry courses. This seventh edition is extensively revised and enlarged by adding new material to take account of recent developments and extensive amendments have been made to improve clarity. The key features of this new addition are: a brand new design. Incorporation of basic principles in boxes directly links the students to the main text;, and a large number of exercises with their solutions have been now added in each chapter. These exercises are set at appropriate places so that the students can test their command of a particular topic. New problems have been added at the end of each chapter. Chemical illustrations have been modified and developed for clarity and information. Generally the figures contain text as well, to decrease the need to refer back and forth to the text and for better understanding.