Structure And Dynamics In Van Der Waals Complexes Of Aromatic Molecules
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Structure And Dynamics In Van Der Waals Complexes Of Aromatic Molecules
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Author : Andrew James Kaziska
language : en
Publisher:
Release Date : 1991
Structure And Dynamics In Van Der Waals Complexes Of Aromatic Molecules written by Andrew James Kaziska and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1991 with categories.
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.
Structure And Dynamics Of Non Rigid Molecular Systems
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Author : Y.G. Smeyers
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06
Structure And Dynamics Of Non Rigid Molecular Systems written by Y.G. Smeyers 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.
This volume contains a selection of scientific papers related to the structure and dynamics of non-rigid molecules. This frontline topic was born a few decades ago, when Longuet-Higgins proposed his famous theory of Molecular Symmetry Groups (Mol. Phys. 6, (1962) 457). Unfortunately, since this early paper, very few publications have been devoted to the study of non-rigid molecules. Let us mention some books which dedicate some chapters to them: Induced Representations in Crystals and Molecules, by S. L. Altmann, Academic Publishers, 1977; Molecular Symmetry and Spectroscopy, by P. R. Bunker, Academic Publishers, 1979; and finally Large Amplitude Motion in Molecules, Vols. I and II, by several authors, Springer Verlag, 1979. More recently an International Symposium on Non-Rigid Molecules was held in Paris, France, from 1-7 July 1982, the proceedings of which were published in the volume entitled Symmetries and Properties of Non-Rigid Molecules. A Comprehensive Survey, edited by J. Maruani et al., Elsevier, 1983. Finally, we should mention the very specialized work The Permutational Approach to Dynamic Stereochemistry, by J. Brocas et al., McGraw-Hill, 1983. The purpose of this book is to fill in this information on the structure and dynamics of non-rigid systems. To this aim, we have gathered a collection of recent papers written by the most qualified specialists in the world, covering a large field from van der Waals molecules to inorganic complexes and organic polyrotor molecules, as well as considering statistical and dynamic aspects.
Dynamics Of Polyatomic Van Der Waals Complexes
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Author : Nadine Halberstadt
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06
Dynamics Of Polyatomic Van Der Waals Complexes written by Nadine Halberstadt 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.
This publication is the Proceedings of the NATO Advanced Research Workshop (ARW) on the Dynamics of Polyatomic Van der Waals Molecules held at the Chateau de Bonas, Castera-Verduzan, France, from August 21 through August 26, 1989. Van der Waals complexes provide important model problems for understanding energy transfer and dissipation. These processes can be described in great detail for Van der Waals complexes, and the insight gained from such studies can be applied to more complicated chemical problems that are not amenable to detailed study. The workshop concentrated on the current questions and future prospects for extend ing our highly detailed knowledge of triatomic Van der Waals molecule dynamics to polyatomic molecules and clusters (one molecule surrounded by several, or up to sev eral tens of, atoms). Both experimental and theoretical studies were discussed, with particular emphasis on the dynamical behavior of dissociation as observed in the dis tributions of quantum states of the dissociation product molecules. The discussion of theoretical approaches covered the range from complete ab initio studies with a rig orous quantum mechanical treatment of the dynamics to the empirical determination of potential energy surfaces and a classical mechanical treatment of the dynamics. Time independent, time dependent and statistical approaches were considered. The workshop brought together experts from different fields which, we hope, benefited from their mutual interaction around the central theme of the Dynamics of Van der Waals complexes.
Low Temperature Molecular Spectroscopy
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Author : Rui Fausto
language : en
Publisher: Springer Science & Business Media
Release Date : 2013-11-11
Low Temperature Molecular Spectroscopy written by Rui Fausto 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 2013-11-11 with Science categories.
Molecular spectroscopy has achieved rapid and significant progress in recent years, the low temperature techniques in particular having proved very useful for the study of reactive species, phase transitions, molecular clusters and crystals, superconductors and semiconductors, biochemical systems, astrophysical problems, etc. The widening range of applications has been accompanied by significant improvements in experimental methods, and low temperature molecular spectroscopy has been revealed as the best technique, in many cases, to establish the connection between experiment and theoretical calculations. This, in turn, has led to a rapidly increasing ability to predict molecular spectroscopic properties. The combination of an advanced tutorial standpoint with an emphasis on recent advances and new perspectives in both experimental and theoretical molecular spectroscopy contained in this book offers the reader insight into a wide range of techniques, particular emphasis being given to supersonic jet and matrix isolation techniques, spectroscopy in cryogenic solutions (including liquid noble gases), and in both crystalline and amorphous states. Suitable quantum chemical methods are also considered, as are empirically based force field methods for calculating spectra of large molecular systems. The wide range of topics covered includes: molecular dynamics and reactivity, time-resolved and high-resolution spectroscopy, conformational analysis, hydrogen bonding and solvent effects, structure and dynamics of weakly bound complexes, transition metal and organic photochemistry, spectroscopy of excited states, ab initio prediction of molecular spectra, and biochemical and astrophysical applications.
Atomic And Molecular Beams
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Author : Roger Campargue
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06
Atomic And Molecular Beams written by Roger Campargue 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.
This title covers the state of the art in this field both theoretically and experimentally. With contributions from leading researchers including several Nobel laureates, it represents a long-lasting source of reference on all aspects of fundamental research into or using atomic and molecular beams.
Femtochemistry Ultrafast Dynamics Of The Chemical Bond In 2 Volumes Volume 2
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Author : Ahmed H Zewail
language : en
Publisher: World Scientific
Release Date : 1994-09-12
Femtochemistry Ultrafast Dynamics Of The Chemical Bond In 2 Volumes Volume 2 written by Ahmed H Zewail and has been published by World Scientific this book supported file pdf, txt, epub, kindle and other format this book has been release on 1994-09-12 with Science categories.
These two volumes on Femtochemistry present a timely contribution to a field central to the understanding of the dynamics of the chemical bond. This century has witnessed great strides in time and space resolutions, down to the atomic scale, providing chemists, biologists and physicists with unprecedented opportunities for seeing microscopic structures and dynamics. Femtochemistry is concerned with the time resolution of the most elementary motions of atoms during chemical change - bond breaking and bond making - on the femtosecond (10-15 second) time scale. This atomic scale of time resolution has now reached the ultimate for the chemical bond and as Lord George Porter puts it, chemists are near the end of the race against time. These two volumes cover the general concepts, techniques and applications of femtochemistry.Professor Ahmed Zewail, who has made the pioneering contributions in this field, has from over 250 publications selected the articles for this anthology. These volumes begin with a commentary and a historical chronology of the milestones. He then presents a broad perspective of the current state of knowledge in femtochemistry by researchers around the world and discusses possible new directions. In the words of a colleague, ';it is a must on the reading-list for all of my students ...; all readers will find this to be an informative and valuable overview.';The introductory articles in Volume I provide reviews for both the non-experts as well as for experts in the field. This is followed by papers on the basic concepts. For applications, elementary reactions are studied first and then complex reactions. Volume I is complete with studies of solvation dynamics, non-reactive systems, ultrafast electron diffraction and the control of chemical reactions.Volume II continues with reaction rates, the concept of elementary intramolecular vibrational-energy redistribution (IVR) and the phenomena of rotational coherence which has become a powerful tool for the determination of molecular structure via time resolution. The second volume ends with an extensive list of references, according to topics, based on work by Professor Zewail and his group at Caltech.These collected works by Professor Zewail will certainly be indispensable to both experts and beginners in the field. The author is known for his clarity and for his creative and systematic contributions. These volumes will be of interest and should prove useful to chemists, biologists and physicists. As noted by Professor J Manz (Berlin) and Professor A W Castleman, Jr. (Penn State): femtochemistry is yielding exciting new discoveries from analysis to control of chemical reactions, with applications in many domains of chemistry and related fields, e.g., physical, organic and inorganic chemistry, surface science, molecular biology, ...; etc.
Ab Initio Molecular Dynamics
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Author : Dominik Marx
language : en
Publisher: Cambridge University Press
Release Date : 2009-04-30
Ab Initio Molecular Dynamics written by Dominik Marx and has been published by Cambridge University Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2009-04-30 with Science categories.
Ab initio molecular dynamics revolutionized the field of realistic computer simulation of complex molecular systems and processes, including chemical reactions, by unifying molecular dynamics and electronic structure theory. This book provides the first coherent presentation of this rapidly growing field, covering a vast range of methods and their applications, from basic theory to advanced methods. This fascinating text for graduate students and researchers contains systematic derivations of various ab initio molecular dynamics techniques to enable readers to understand and assess the merits and drawbacks of commonly used methods. It also discusses the special features of the widely used Car–Parrinello approach, correcting various misconceptions currently found in research literature. The book contains pseudo-code and program layout for typical plane wave electronic structure codes, allowing newcomers to the field to understand commonly used program packages and enabling developers to improve and add new features in their code.
Computational Science And Its Applications Iccsa 2006
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Author : Marina Gavrilova
language : en
Publisher: Springer Science & Business Media
Release Date : 2006
Computational Science And Its Applications Iccsa 2006 written by Marina Gavrilova 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 with Computers categories.
The five-volume set LNCS 3980-3984 constitutes the refereed proceedings of the International Conference on Computational Science and Its Applications, ICCSA 2006, held in Glasgow, UK in May 2006.The five volumes present a total of 664 papers selected from over 2300 submissions. The papers present a wealth of original research results in the field of computational science, from foundational issues in computer science and mathematics to advanced applications in virtually all sciences making use of computational techniques. The topics of the refereed papers are structured according to the five major conference themes: computational methods, algorithms and applications high performance technical computing and networks advanced and emerging applications geometric modelling, graphics and visualization information systems and information technologies.Moreover, submissions from 31 Workshops and technical sessions in the areas, such as information security, mobile communication, grid computing, modeling, optimization, computational geometry, virtual reality, symbolic computations, molecular structures, Web systems and intelligence, spatial analysis, bioinformatics and geocomputations, contribute to this publication.
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