Welcome to our book review site go-pdf.online!
You may have to Search all our reviewed books and magazines, click the sign up button below to create a free account.
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 ...
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 Chemical Physics, Volume 142
The Advances in Chemical Physics series presents the cutting edge in every area of the discipline and provides the field with a forum for critical, authoritative evaluations of advances. It provides an editorial framework that makes each volume an excellent supplement to advanced graduate classes, with contributions from experts around the world and a handy glossary for easy reference on new terminology. This series is a wonderful guide for students and professionals in chemical physics and physical chemistry, from academia, government, and industries including chemicals, pharmaceuticals, and polymers.
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...
Reaction Dynamics in Clusters and Condensed Phases
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 in...
Raman Spectroscopy of Conformational Rearrangements at Low Temperatures
This thesis identifies the turning point in chain length, after which alkanes self-solvate into a folded structure instead of an extended stretched conformation. After this turning point, London dispersion forces rearrange isolated n-alkanes into a particular hairpin-structure, while for shorter chain lengths, a simple stretched conformation is energetically preferred. This thesis can locate the experimental turning point for the first time in an interaction-free manner from measurements of unbranched alkanes at low temperatures in supersonic jet expansions. It contains a detailed analysis of the vibrational Raman spectra of the chain molecules, which is supported by comprehensive quantum ch...
Science
None
