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Conceptual Perspectives in Quantum Chemistry
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 ...
Molecular Spectroscopy and Quantum Dynamics
Molecular Spectroscopy and Quantum Dynamics, an exciting new work edited by Professors Martin Quack and Roberto Marquardt, contains comprehensive information on the current state-of-the-art experimental and theoretical methods and techniques used to unravel ultra-fast phenomena in atoms, molecules and condensed matter, along with future perspectives on the field. - Contains new insights into the quantum dynamics and spectroscopy of electronic and nuclear motion - Presents the most recent developments in the detection and interpretation of ultra-fast phenomena - Includes a discussion of the importance of these phenomena for the understanding of chemical reaction dynamics and kinetics in relation to molecular spectra and structure
Chemical Physics and Quantum Chemistry
Advances in Quantum Chemistry presents surveys of current topics in this rapidly developing field one that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry, and biology. It features detailed reviews written by leading international researchers. In this volume the readers are presented with an exciting combination of themes. - Presents surveys of current topics in this rapidly-developing field that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry and biology - Features detailed reviews written by leading international researchers - Topics include: New advances in Quantum Chemical Physics; Original theory and a contemporary overview of the field of Theoretical Chemical Physics; State-of-the-Art calculations in Theoretical Chemistry
Quantities, Units and Symbols in Physical Chemistry
Prepared by the IUPAC Physical Chemistry Division this definitive manual, now in its third edition, is designed to improve the exchange of scientific information among the readers in different disciplines and across different nations. This book has been systematically brought up to date and new sections added to reflect the increasing volume of scientific literature and terminology and expressions being used. The Third Edition reflects the experience of the contributors with the previous editions and the comments and feedback have been integrated into this essential resource. This edition has been compiled in machine-readable form and will be available online.
Quantum Systems in Chemistry and Physics
Quantum Systems in Chemistry and Physics: Progress in Methods and Applications is a collection of 33 selected papers from the scientific contributions presented at the 16th International Workshop on Quantum Systems in Chemistry and Physics (QSCP-XVI), held at Ishikawa Prefecture Museum of Art in Kanazawa, Japan, from September 11th to 17th, 2011. The volume discusses the state of the art, new trends, and the future of methods in molecular quantum mechanics and their applications to a wide range of problems in physics, chemistry, and biology. The breadth and depth of the scientific topics discussed during QSCP-XVI appears in the classification of the contributions in six parts: I. Fundamental...
Raman Spectroscopy of Carboxylic Acid and Water Aggregates
In the present work the carboxylic acid dimers and water clusters are chosen as model systems of strong and moderately strong hydrogen bonds and studied with spontaneous Raman spectroscopy coupled with a supersonic jet expansion. The spectra of several carboxylic acids are measured and assigned in the entire fundamental wavenumber region. An overview of their vibrations is achieved by comparing our experimental results with former experimental results as well as with quantum chemical calculations. For the first time, we know from experiment how anharmonic the hydrogen bond vibrations of formic acid are and it is proved that the hydrogen bond becomes stiffer when moving from formic acid to acetic acid. Now there is a very complete spectroscopic data base for formic acid dimer, which can be used to rigorously test quantum chemical calculations. Besides, we finally know from experiment how strongly the OH oscillators are coupled to each other in the simplest ring clusters of water. All this was only possible by the use of spontaneous Raman scattering in supersonic expansions, which is a really powerful tool to investigate hydrogen bonded systems.
Advances in Molecular Vibrations and Collision Dynamics
This volume focuses on molecular clusters, bound by van der Waals interactions and hydrogen bonds. Twelve chapters review a wide range of recent theoretical and experimental advances in the areas of cluster vibrations, spectroscopy, and reaction dynamics. The authors are leading experts, who have made significant contributions to these topics.The first chapter describes exciting results and new insights in the solvent effects on the short-time photo fragmentation dynamics of small molecules, obtained by combining heteroclusters with femtosecond laser excitation. The second is on theoretical work on effects of single solvent (argon) atom on the photodissociation dynamics of the solute H2O mol...
Quantum Control: Mathematical and Numerical Challenges
It brought together mathematicians, theoretical chemists, and physicists working in the area of control and optimization of systems to address the outstanding numerical and mathematical problems."
Protecting People - and Losing Just Peace?
Taking up the international ecumenical debate on 'just peace' and the international responsibility to protect, this volume discusses the relation between the two concepts. It examines such questions as: How does responsibility to protect influence the paradigm of just peace? How can the core idea of prevention be implemented in view of real needs to protect? Can criteria be developed to reflect just peace as a model for Christian peace ethics? Can these criteria also include military intervention as a last resort? (Series: Ecumenical Studies / Okumenische Studien - Vol. 43)
Handbook of High-resolution Spectroscopy
The field of High-Resolution Spectroscopy has been considerably extended and even redefined in some areas. Combining the knowledge of spectroscopy, laser technology, chemical computation, and experiments, Handbook of High-Resolution Spectroscopy provides a comprehensive survey of the whole field as it presents itself today, with emphasis on the recent developments. This essential handbook for advanced research students, graduate students, and researchers takes a systematic approach through the range of wavelengths and includes the latest advances in experiment and theory that will help and guide future applications. The first comprehensive survey in high-resolution molecular spectroscopy for...
