Download or read book Carbon Dioxide and Organometallics written by Xiao-Bing Lu and published by Springer. This book was released on 2015-08-26 with total page 313 pages. Available in PDF, EPUB and Kindle. Book excerpt: The series Topics in Organometallic Chemistry presents critical overviews of research results in organometallic chemistry. As our understanding of organometallic structure, properties and mechanisms increases, new ways are opened for the design of organometallic compounds and reactions tailored to the needs of such diverse areas as organic synthesis, medical research, biology and materials science. Thus the scope of coverage includes a broad range of topics of pure and applied organometallic chemistry, where new breakthroughs are being achieved that are of significance to a larger scientific audience. The individual volumes of Topics in Organometallic Chemistry are thematic. Review articles are generally invited by the volume editors. All chapters from Topics in Organometallic Chemistry are published OnlineFirst with an individual DOI. In references, Topics in Organometallic Chemistry is abbreviated as Top Organomet Chem and cited as a journal

Download or read book Hydrogen Bonding written by Steve Scheiner and published by Oxford University Press, USA. This book was released on 1997 with total page 396 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Download or read book Publications of the National Institute of Standards and Technology Catalog written by National Institute of Standards and Technology (U.S.) and published by . This book was released on 1988 with total page 406 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Low Temperature Molecular Spectroscopy written by Rui Fausto and published by Springer Science & Business Media. This book was released on 2013-11-11 with total page 622 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Download or read book Chemical Abstracts written by and published by . This book was released on 2002 with total page 2720 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Publications of the National Bureau of Standards Catalog written by United States. National Bureau of Standards and published by . This book was released on 1986 with total page 396 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Physics Briefs written by and published by . This book was released on 1993 with total page 1058 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Conceptual Perspectives in Quantum Chemistry written by Jean-Louis Calais and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 562 pages. Available in PDF, EPUB and Kindle. Book excerpt: The rivers run into the sea, yet the sea is not full Ecclesiastes What is quantum chemistry? The straightforward answer is that it is what quan tum chemists do. But it must be admitted, that in contrast to physicists and chemists, "quantum chemists" seem to be a rather ill-defined category of scientists. Quantum chemists are more or less physicists (basically theoreticians), more or less chemists, and by large, computationists. But first and foremost, we, quantum chemists; are conscious beings. We may safely guess that quantum chemistry was one of the first areas in the natural sciences to lie on the boundaries of many disciplines. We may certainly claim that quantum chemists were the first to use computers for really large scale calculations. The scope of the problems which quantum chemistry wishes to answer and which, by its unique nature, only quantum chemistry can answer is growing daily. Retrospectively we may guess that many of those problems meet a daily need, or are say, technical in some sense. The rest are fundamental or conceptual. The daily life of most quantum chemists is usually filled with grasping the more or less technical problems. But it is at least as important to devote some time to the other kind of problems whose solution will open up new perspectives for both quantum chemistry itself and for the natural sciences in general.

Download or read book Noncovalent Forces written by Steve Scheiner and published by Springer. This book was released on 2015-04-16 with total page 528 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Download or read book Reviews in Computational Chemistry written by Kenny B. Lipkowitz and published by John Wiley & Sons. This book was released on 2009-09-22 with total page 464 pages. Available in PDF, EPUB and Kindle. Book excerpt: THIS BOOK HAS SIX TUTORIALS AND REVIEWS WRITTEN BY INVITED EXPERTS. FIVE CHAPTERS TEACH TOPICS IN QUANTUM MECHANICS AND MOLECULAR SIMULATIONS. THE SIXTH CHAPTER EXPLAINS HOW PROGRAMS FOR CHEMICAL STRUCTURE DRAWING WORK. AN EDITORIAL DISCUSSES SOME OF THE MOST WELL-KNOWN PERSONAGES IN COMPUTATIONAL CHEMISTRY. FROM REVIEWS OF THE SERIES "Anyone who is doing or intends to do computational research on molecular structure and design should seriously consider purchasing this book for his or her personal library."-JOURNAL OF COMPUTATIONAL CHEMISTRY. "These reviews are becoming regarded as the standard reference among both specialists and novices in the expanding field of computational chemistry." -JOURNAL OF MOLECULAR GRAPHICS AND MODELLING. "[This book is] written for newcomers learning about molecular modeling techniques as well as for seasoned professionals who need to acquire expertise in areas outside their own."-JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCE.

Download or read book Jet FTIR Spectroscopy of Biomolecular Model Systems written by Corey Allen Rice and published by Cuvillier Verlag. This book was released on 2007 with total page 157 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Molecular Complexes in Earth s Planetary Cometary and Interstellar Atmospheres written by Andrei A. Vigasin and published by World Scientific. This book was released on 1998 with total page 296 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book introduces systematically the concept of weakly-bound complexes into the broad field of atmospheric sciences. To fill up the gap between our rapidly expanding knowledge of the individual properties of Van der Waals and hydrogen-bonded molecules, and our understanding of their role in the atmospheric processes, an ensemble of related topics are covered by a team of expert co-authors. The general properties of the weakly bound molecular complexes (or ?clusters?) are discussed, as well as their distribution in the planetary atmospheres. Collision-induced and dimeric absorption and emission are considered in the context of atmospheric spectroscopy. The advanced experimental techniques which enable us to study the spectroscopic features of molecular complexes in the gas phase, or which are adsorbed, are reviewed. The role of molecular complexes in the cometary atmosphere, the Earth mesosphere, and the atmospheres of the giant planets and some of their satellites are also discussed in detail.

Download or read book American Doctoral Dissertations written by and published by . This book was released on 1997 with total page 806 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Structures and Conformations of Non Rigid Molecules written by J. Laane and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 640 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Download or read book Energy Research Abstracts written by and published by . This book was released on 1989 with total page 1364 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Structure Data of Free Polyatomic Molecules written by Natalja Vogt and published by Springer Nature. This book was released on 2020-01-02 with total page 930 pages. Available in PDF, EPUB and Kindle. Book excerpt: This handbook presents structural data on free polyatomic molecules. Since the structure of molecules defines the chemical, physical and biological properties of matter, this information is crucial for understanding, explaining and predicting chemical reactions and biochemical processes, developing new drugs and materials as well as studying interstellar media. Covering the structural data published between 2009 and 2017, this book supplements the previous Landolt–Börnstein volumes “Structure Data of Free Polyatomic Molecules” (eds. K. Kuchitsu, N. Vogt, M. Tanimoto), which included data from the literature published up to 2008. It systematizes and describes peculiarities of molecular structures for about 1000 compounds studied mainly by gas-phase electron diffraction and rotational spectroscopy. All structures are given in three-dimensional representations.

Download or read book Publications of the National Bureau of Standards 1986 Catalog written by United States. National Bureau of Standards and published by . This book was released on 1987 with total page 420 pages. Available in PDF, EPUB and Kindle. Book excerpt: