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Author: George Maroulis Publisher: CRC Press ISBN: 9047418603 Category : Mathematics Languages : en Pages : 213
Book Description
This volume on Clusters brings together contributions from a large number of specialists. A central element for all contributions is the use of advanced computational methodologies and their application to various aspects of structure, reactivity and properties of clusters. The size of clusters varies from a few atoms to nanoparticles.
Author: George Maroulis Publisher: CRC Press ISBN: 9047418603 Category : Mathematics Languages : en Pages : 213
Book Description
This volume on Clusters brings together contributions from a large number of specialists. A central element for all contributions is the use of advanced computational methodologies and their application to various aspects of structure, reactivity and properties of clusters. The size of clusters varies from a few atoms to nanoparticles.
Author: Kenta Mizuse Publisher: Springer Science & Business Media ISBN: 4431543120 Category : Science Languages : en Pages : 187
Book Description
The properties and nature of water clusters studied with novel spectroscopic approaches are presented in this thesis. Following a general introduction on the chemistry of water and water clusters, detailed descriptions of the experiments and analyses are given. All the experimental results, including first size-selective spectra of large clusters consisting of 200 water molecules, are presented with corresponding analyses. Hitherto unidentified hydrogen bond network structures, dynamics, and reactivity of various water clusters have been characterized at the molecular level. The main targets of this book are physical chemists and chemical physicists who are interested in water chemistry or cluster chemistry.
Author: Zhifeng Xue Publisher: Logos Verlag Berlin GmbH ISBN: 3832528482 Category : Science Languages : en Pages : 262
Book Description
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.
Author: Nikola Kallay Publisher: CRC Press ISBN: 9780824700065 Category : Science Languages : en Pages : 780
Book Description
An examination of the theoretical foundations of the kinetics and thermodynamics of solid-liquid interfaces, as well as state-of-the-art industrial applications, this book presents information on surface and colloidal chemical processes and evaluates vital analytical tools such as atomic force microscopy, surface force apparatus measurements, and photon correlation spectroscopy.
Author: Martin Quack Publisher: John Wiley & Sons ISBN: 0470066539 Category : Science Languages : en Pages : 2236
Book Description
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 over 15 years Brings together the knowledge of spectroscopy, laser technology, chemical computation and experiments Brings the reader up-to-date with the many advances that have been made in recent times Takes the reader through the range of wavelengths, covering all possible techniques such as Microwave Spectroscopy, Infrared Spectroscopy, Raman Spectroscopy, VIS, UV and VUV Combines theoretical, computational and experimental aspects Has numerous applications in a wide range of scientific domains Edited by two leaders in this field Provides an overview of rotational, vibration, electronic and photoelectron spectroscopy Volume 1 - Introduction: Fundamentals of Molecular Spectroscopy Volume 2 - High-Resolution Molecular Spectroscopy: Methods and Results Volume 3 - Special Methods & Applications
Author: Jean-Michel Hartmann Publisher: Elsevier ISBN: 0080569943 Category : Science Languages : en Pages : 429
Book Description
Gas phase molecular spectroscopy is a powerful tool for obtaining information on the geometry and internal structure of isolated molecules as well as on the interactions that they undergo. It enables the study of fundamental parameters and processes and is also used for the sounding of gas media through optical techniques. It has been facing always renewed challenges, due to the considerable improvement of experimental techniques and the increasing demand for accuracy and scope of remote sensing applications. In practice, the radiating molecule is usually not isolated but diluted in a mixture at significant total pressure. The collisions among the molecules composing the gas can have a large influence on the spectral shape, affecting all wavelength regions through various mechanisms. These must be taken into account for the correct analysis and prediction of the resulting spectra. This book reviews our current experimental and theoretical knowledge and the practical consequences of collisional effects on molecular spectral shapes in neutral gases. General expressions are first given. They are formal of difficult use for practical calculations often but enable discussion of the approximations leading to simplified situations. The first case examined is that of isolated transitions, with the usual pressure broadening and shifting but also refined effects due to speed dependence and collision-induced velocity changes. Collisional line-mixing, which invalidates the notion of isolated transitions and has spectral consequences when lines are closely spaced, is then discussed within the impact approximation. Regions where the contributions of many distant lines overlap, such as troughs between transitions and band wings, are considered next. For a description of these far wings the finite duration of collisions and concomitant breakdown of the impact approximation must be taken into account. Finally, for long paths or elevated pressures, the dipole or polarizability induced by intermolecular interactions can make significant contributions. Specific models for the description of these collision induced absorption and light scattering processes are presented. The above mentioned topics are reviewed and discussed from a threefold point of view: the various models, the available data, and the consequences for applications including heat transfer, remote sensing and optical sounding. The extensive bibliography and discussion of some remaining problems complete the text. - State-of-the-art on the subject - A bibliography of nearly 1,000 references - Tools for practical calculations - Consequences for other scientific fields - Numerous illustrative examples - Fulfilling a need since there is no equivalent monograph on the subject
Author: George Maroulis
Author: George Maroulis
Author: Joshua Barron Paul
Author: Kenta Mizuse
Author: Zhifeng Xue
Author: Ryan Patrick McLaughlin
Author: Nikola Kallay
Author: Jeffrey Duane Cruzan
Author: Martin Quack
Author: 
Author: Jean-Michel Hartmann