Structure And Dynamics Of Weakly Bound Molecular Complexes
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Structure And Dynamics Of Weakly Bound Molecular Complexes
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Author : Alfons Weber
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06
Structure And Dynamics Of Weakly Bound Molecular Complexes written by Alfons Weber 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.
The study of weakly bound molecular complexes has in recent years brought this field of investigation to the forefront of physical and chemical research. The scope of the subject is wide and different terminology and nomenclature is current among the various subspecialties. Thus, the term "metal cluster" often connotes to the organic chemist a metal-organic compound, while the physicist will more likely think of groups of metal atoms held together by weak interatomic forces. Aggregates, clusters, complexes, van der Waals molecules, hydrogen-bonded molecules, etc. are terms currently in use, sometimes interchangeably while other times with well defined and mutually exclusive meanings. The subjects of this volume are the free, isolated vim der Waals and hydrogen-bonded molecules. Owing to the present state of experimental knowledge these are mostly dimers, i. e. , entities formed by two strongly bound molecules, an atom and a molecule, or two atoms held together by the weak hydrogen-bonding, or the still weaker van der Waals forces. Weakly bound complexes formed of more than two strongly bound sub-units, i. e. , trimers, tetramers, etc. , are now coming within reachof experimental observation and several papers in this book deal with them. The study of van der Waals and hydrogen-bonded interactions has been pursued for several decades. Most of these ,investigations have, however, dealt with systems in the condensed phase in which bulk effects are commingled with and therefore mask the weak binary interactions.
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.
Publications Of The National Bureau Of Standards Catalog
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Author : United States. National Bureau of Standards
language : en
Publisher:
Release Date : 1987
Publications Of The National Bureau Of Standards Catalog written by United States. National Bureau of Standards and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1987 with categories.
The Structure Of Small Molecules And Ions
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Author : Ron Naaman
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06
The Structure Of Small Molecules And Ions written by Ron Naaman 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 Technology & Engineering categories.
The workshop on "The structure of small molecules and ions" was held at the Neve-Han guest house, near Jerusalem, Israel on December 13 to 18 in mem ory of the late Professor Itzhak Plesser. Professor Plesser played a central role in the research done both at the Weizmann Institute and at Argonne National Laboratories on the "Coulomb explosion" method. His friends honored his memory by organizing a meeting in which subjects related to Plesser's interests would be discussed. Just a week be fore the conference started we were struck by another tragedy -the death of our graduate student Ms. Hana Kovner, who participated in many of the Coulomb explosion experiments at the Weizmann Institute. We would like to dedicate these proceedings to her memory as well. The goal of the workshop was to bring together chemists and physicists working on different aspects of the structural problems of small molecular en tities. The time seemed appropriate for discussing experimental and theoretical concepts, since in recent years new methods have been introduced, and a large amount of information has been accumulated on systems not studied before, like unstable molecules, ions, van der Waals molecules and clusters. The program of the workshop reflects, we believe, these new developments. The meeting was characterized by intensive discussions in which the weak nesses and strengths of new and of well established concepts were revealed. We hope that it measured up to the high standards Itzhak Plesser maintained all through his scientific life.
Spectroscopic Properties Of Inorganic And Organometallic Compounds
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Author : G Davidson
language : en
Publisher: Royal Society of Chemistry
Release Date : 2007-10-31
Spectroscopic Properties Of Inorganic And Organometallic Compounds written by G Davidson 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 2007-10-31 with Science categories.
Spectroscopic Properties of Inorganic and Organometallic Compounds provides a unique source of information on an important area of chemistry. Divided into sections mainly according to the particular spectroscopic technique used, coverage in each volume includes: NMR (with reference to stereochemistry, dynamic systems, paramagnetic complexes, solid state NMR and Groups 13-18); nuclear quadrupole resonance spectroscopy; vibrational spectroscopy of main group and transition element compounds and coordinated ligands; and electron diffraction. Reflecting the growing volume of published work in this field, researchers will find this Specialist Periodical Report an invaluable source of information on current methods and applications. Specialist Periodical Reports provide systematic and detailed review coverage in major areas of chemical research. Compiled by teams of leading experts in their specialist fields, this series is designed to help the chemistry community keep current with the latest developments in their field. Each volume in the series is published either annually or biennially and is a superb reference point for researchers. www.rsc.org/spr
Dynamical Processes In Molecular Physics Lectures From The First Eps Southern European School Of Physics Avila September 1991
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Author : Gerardo Delgado-Barrio
language : en
Publisher: CRC Press
Release Date : 1993-01-01
Dynamical Processes In Molecular Physics Lectures From The First Eps Southern European School Of Physics Avila September 1991 written by Gerardo Delgado-Barrio and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 1993-01-01 with Science categories.
In Dynamical Processes in Molecular Physics, leading European lecturers outline the fundamental aspects of dynamical processes in molecular physics. The papers included in this book make a valuable contribution to the teaching of molecular physics as well as discussing advances in this area. It covers a wide range of interesting and relevant topics, both experimental and theoretical. Physicists and physical chemists at graduate and research level will find this an invaluable reference.
Reaction Dynamics In Clusters And Condensed Phases
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Author : Joshua Jortner
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06
Reaction Dynamics In Clusters And Condensed Phases written by Joshua Jortner 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.
The Twenty Sixth Jerusalem Symposium reflected the high standards of these distinguished scientific meetings, which convene once a year at the Israel Academy of Sciences and Humanities in Jerusalem to discuss a specific topic in the broad area of quantum chemistry and biochemistry. The topic at this year's Jerusalem Symposium was reaction dynamics in clusters and condensed phases, which constitutes a truly interdisciplinary subject of central interest in the areas of chemical dynamics, kinetics, photochemistry and condensed matter chemical physics. The main theme of the Symposium was built around the exploration of the interrelationship between the dynamics in large finite clusters and in infinite bulk systems. The main issues addressed microscopic and macroscopic sol vation phenomena, cluster and bulk spectroscopy, photodissociation and vibrational predissociation, cage effects, interphase dynamics, reaction dynamics and energy transfer in clusters, dense fluids, liquids, solids and biophysical systems. The interdisciplinary nature of this research area was deliberated by intensive and extensive interactions between modern theory and advanced experimental methods. This volume provides a record of the invited lectures at the Symposium.
Publications Of The National Bureau Of Standards
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Author : United States. National Bureau of Standards
language : en
Publisher:
Release Date : 1987
Publications Of The National Bureau Of Standards written by United States. National Bureau of Standards and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1987 with Government publications categories.
Publications Of The National Institute Of Standards And Technology Catalog
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Author : National Institute of Standards and Technology (U.S.)
language : en
Publisher:
Release Date : 1988
Publications Of The National Institute Of Standards And Technology Catalog written by National Institute of Standards and Technology (U.S.) and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1988 with categories.
Equilibrium Structure Of Free Molecules
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Author : Natalja Vogt
language : en
Publisher: Springer Nature
Release Date : 2023-12-06
Equilibrium Structure Of Free Molecules written by Natalja Vogt and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2023-12-06 with Science categories.
The properties of chemical, pharmaceutical, and biological compounds depend mainly on their molecular structure, whose determination is of fundamental interest. This book examines and systematizes more than three hundred striking structural determinations of free molecules. Featuring high-quality structural data and presenting modern techniques of their determinations by quantum chemistry, high-resolution spectroscopy and electron diffraction, the book is an indispensable resource for graduate students and professional scientists specializing in structural chemistry and other related fields.