Vibration-rotation-tunneling Dynamics in Small Water Clusters
Author: Nick Pugliano
Publisher:
Published: 1992
Total Pages: 330
ISBN-13:
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Author: Nick Pugliano
Publisher:
Published: 1992
Total Pages: 330
ISBN-13:
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Publisher:
Published: 1992
Total Pages: 150
ISBN-13:
DOWNLOAD EBOOKAuthor: Jeffrey Duane Cruzan
Publisher:
Published: 1997
Total Pages: 654
ISBN-13:
DOWNLOAD EBOOKAuthor: Heather Ann Harker
Publisher:
Published: 2004
Total Pages: 422
ISBN-13:
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Publisher: Elsevier
Published: 1998-09-25
Total Pages: 473
ISBN-13: 0080560792
DOWNLOAD EBOOKThis 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 molecule. The next two chapters cover experimental and theoretical aspects of the energetics and vibrations of small clusters. Chapter 5 describes diffusion quantum Monte Carlo calculations and non additive three-body potential terms in molecular clusters. The next six chapters deal with hydrogen-bonded clusters, reflecting the ubiquity and importance of hydrogen-bonded networks. The final chapter provides the microscopic theory of the dynamics and spectroscopy of doped helium cluster, highly quantum systems whose unusual properties have been studied extensively in the past couple of years.
Author:
Publisher:
Published: 1993
Total Pages: 638
ISBN-13:
DOWNLOAD EBOOKAuthor: Mac George Edward Brown
Publisher:
Published: 1999
Total Pages: 498
ISBN-13:
DOWNLOAD EBOOKAuthor: Takashi Kumagai
Publisher: Springer Science & Business Media
Published: 2012-09-02
Total Pages: 139
ISBN-13: 443154156X
DOWNLOAD EBOOKThe hydrogen bond represents an important interaction between molecules, and the dynamics of hydrogen bonds in water create an ever-present question associated with the process of chemical and biological reactions. In spite of numerous studies, the process remains poorly understood at the microscopic level because hydrogen-bond dynamics, such as bond rearrangements and hydrogen/proton transfer reactions, are extremely difficult to probe. Those studies have been carried out by means of spectroscopic methods where the signal stems from the ensemble of a system and the hydrogen-bond dynamics were inferred indirectly. This book addresses the direct imaging of hydrogen-bond dynamics within water-based model systems assembled on a metal surface, using a scanning tunneling microscope (STM). The dynamics of individual hydrogen bonds in water clusters, hydroxyl clusters, and water-hydroxyl complexes are investigated in conjunction with density functional theory. In these model systems, quantum dynamics of hydrogen bonds, such as tunneling and zero-point nuclear motion, are observed in real space. Most notably, hydrogen atom relay reactions, which are frequently invoked across many fields of chemistry, are visualized and controlled by STM. This work presents a means of studying hydrogen-bond dynamics at the single-molecule level, providing an important contribution to wide fields beyond surface chemistry.
Author: Roberto Marquardt
Publisher: Elsevier
Published: 2020-09-18
Total Pages: 376
ISBN-13: 0128172355
DOWNLOAD EBOOKMolecular 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
Author: Nikola Kallay
Publisher: CRC Press
Published: 2000-01-03
Total Pages: 760
ISBN-13: 1482289792
DOWNLOAD EBOOKAn 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 p