Anion Photoelectron Spectroscopy of Semiconductor Clusters and Solvated Species

Anion Photoelectron Spectroscopy of Semiconductor Clusters and Solvated Species PDF Author: Harry Gomez
Publisher:
ISBN:
Category :
Languages : en
Pages : 482

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Anion Photoelectron Spectroscopy of Semiconductor Clusters and Solvated Species

Anion Photoelectron Spectroscopy of Semiconductor Clusters and Solvated Species PDF Author: Harry Gomez
Publisher:
ISBN:
Category :
Languages : en
Pages : 482

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Anion Photoelectron Spectroscopy of Small Clusters

Anion Photoelectron Spectroscopy of Small Clusters PDF Author: Sean Michael Sheehan
Publisher:
ISBN:
Category :
Languages : en
Pages : 316

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American Doctoral Dissertations

American Doctoral Dissertations PDF Author:
Publisher:
ISBN:
Category : Dissertation abstracts
Languages : en
Pages : 776

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Dissertation Abstracts International

Dissertation Abstracts International PDF Author:
Publisher:
ISBN:
Category : Dissertations, Academic
Languages : en
Pages : 902

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Chemical Modelling Volume 17

Chemical Modelling Volume 17 PDF Author: Dr Hilke Bahmann
Publisher: Royal Society of Chemistry
ISBN: 1839167416
Category : Science
Languages : en
Pages : 217

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Book Description
Chemical modelling covers a wide range of disciplines, and this book is the first stop for any chemist, materials scientist, biochemist, or molecular physicist wishing to acquaint themselves with major developments in the applications and theory of chemical modelling. Containing both comprehensive and critical reviews, it is a convenient reference to the current literature. Coverage includes, but is not limited to, considerations towards rigorous foundations for the natural-orbital representation of molecular electronic transitions, quantum and classical embedding schemes for optical properties, machine learning for excited states, ultrafast and wave function-based electron dynamics, and attosecond chemistry.

Advances in Metal and Semiconductor Clusters

Advances in Metal and Semiconductor Clusters PDF Author: M.A. Duncan
Publisher: Elsevier
ISBN: 9780080496573
Category : Science
Languages : en
Pages : 412

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Book Description
In previous volumes in this series, Advances in Metal and Semiconductor Clusters, the focus has been on atomic clusters of metals, semiconductors and carbon. Fundamental gas phase studies have been surveyed, and most recently scientists have explored new materials which can be produced from clusters or cluster precursors. In this latest volume, the focus shifts to clusters composed primarily of non-metal molecules or atoms which have one or more metal atoms seeded into the cluster as an impurity. These clusters provide model systems for metal ion solvation processes and metal-ligand interactions. Metal-ligand bonding underlies the vast fields of organometallic chemistry, transition metal chemistry and homogeneous catalysis. Catalytic activity, ligand displacement reactions and photochemical activity depend on the specific details of metal-ligand bonding. Likewise, metal ions are ubiquitous in chemistry and biology and weaker electrostatic interactions play a leading role in their function. In solution, metals exist in different charge states depending on the conditions, and the solvation environment strongly influences their chemistry. Many enzymes have metal ions at their active sites, and electrostatic interactions influence the selectivity for metal ion transport through cell membranes. Metal ions (e.g., Mg+, Ca+) are deposited into the earth's atmosphere by meteor ablation, resulting in a rich variety of atmospheric chemistry. Similarly, metal ions ( Mg+) have been observed in planetary atmospheres and in the impact of the comet Shoemaker-Levy 9 on Jupiter. In various circumstances, the electrostatic interactions of metal ions determine the outcome of significant chemistry. Cluster chemistry has made significant contributions to the understanding of these stronger metal ligand interactions and weaker metal ion solvation interactions. In this volume, the authors explore a variety of work in these general areas, where new cluster science techniques in the gas phase have made it possible to synthesize new kinds of complexes with metals and to measure their properties in detail.

Atomic and Molecular Clusters

Atomic and Molecular Clusters PDF Author: Roy L. Johnston
Publisher: CRC Press
ISBN: 9781420055771
Category : Science
Languages : en
Pages : 258

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Book Description
Cluster physics is the foundation of the increasingly important field of nanotechnology. Clusters, ranging in size from a few to many millions of atoms, constitute a fascinating field of research in physics, chemistry and materials science. They are formed by most of the elements of the Periodic Table, and the types of bonding and the resultant clusters are equally as varied. This book introduces atomic clusters, ranging from weakly-bonded clusters of argon to strongly-bonded carbon clusters and metal nano-particles. It includes worked examples to enable lecturers and students to gauge their understanding and progress. Atomic and Molecular Clusters describes the experimental generation, detection and interrogation of clusters and theoretical approaches developed to aid understanding of their physical properties. It classifies clusters according to their bonding types and gives examples of present and possible future applications of clusters in electronic, optical and magnetic devices.

Practical Aspects of Computational Chemistry V

Practical Aspects of Computational Chemistry V PDF Author: Jerzy Leszczynski
Publisher: Springer Nature
ISBN: 3030832449
Category : Science
Languages : en
Pages : 292

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Book Description
This book presents contributions on a wide range of computational research applied to fields ranging from molecular systems to bulk structures. This volume highlights current trends in modern computational chemistry and discusses the development of theoretical methodologies, state-of-the-art computational algorithms and their practical applications. This volume is part of a continuous effort by the editors to document recent advances by prominent researchers in the area of computational chemistry. Most of the chapters are contributed by invited speakers and participants to International annual conference “Current Trends in Computational Chemistry”, organized by Jerzy Leszczynski, one of the editors of the current volume. This conference series has become an exciting platform for eminent theoretical and computational chemists to discuss their recent findings and is regularly honored by the presence of Nobel laureates. Topics covered in the book include reactive force-field methodologies, coarse-grained modeling, DNA damage radiosensitizers, modeling and simulation of surfaces and interfaces, non-covalent interactions, and many others. The book is intended for theoretical and computational chemists, physical chemists, material scientists and those who are eager to apply computational chemistry methods to problems of chemical and physical importance. It is a valuable resource for undergraduate, graduate and PhD students as well as for established researchers.

Photodetachment Dynamics of Oxygenated Organic Anions and Solvated Iodide Clusters

Photodetachment Dynamics of Oxygenated Organic Anions and Solvated Iodide Clusters PDF Author: Michael Shane Bowen
Publisher:
ISBN:
Category :
Languages : en
Pages : 416

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This dissertation focuses on the photodetachment dynamics of small oxygen-containing organic anions and iodide atoms clustered with a series of different solvents. These molecular systems represent important classes of transient species that play a role in complex oxidation and solvation phenomena. Photoelectron-photofragment coincidence spectroscopy was used to characterize the photodetachment and dissociation dynamics of these species. Interpretation of the resulting energy spectra, photoelectron angular distributions and dissociation dynamics was aided by density functional theory calculations. Small oxygen-containing organic radicals, such as the vinoxy and allyloxy radicals presented in Chapters 3 and 4, are representative volatile organic compounds. These species are of great interest to atmospheric and physical chemists because they play important roles in atmospheric oxidation and combustion processes. A detailed understanding of the energetics and dynamics of these reactive species is essential to understanding complex combustion and atmospheric environments. The photodetachment dynamics of solvated iodide anions probes solvation phenomena at a microscopic level. The investigations presented in Chapters 5 and 6 approach the study of solvation by characterizing the dissociative photodetachment dynamics of solvated iodide atoms, I−(X). This approach characterizes the half-collision dynamics between a series of different solvents and the iodine atom, as configured in the equilibrium geometries of the anionic precursors. The solvents investigated, X, were CO2, NH3, H2O, C6H5NH2 and C6H5OH. These studies yield information about the effects of different types of intermolecular forces on the photodetachment dynamics of I− as well as the dissociation dynamics of the weakly interacting neutral cluster constituents. For the I−(C6H5NH2) complex, a novel wavelength-independent autodetachment process involving a transient C6H5NH2 species was found to compete with direct photodetachment.

Excited-state Dynamics of Molecular and Cluster Anions Studied with Time-resolved Photoelectron Spectroscopy and Imaging

Excited-state Dynamics of Molecular and Cluster Anions Studied with Time-resolved Photoelectron Spectroscopy and Imaging PDF Author: Arthur Edward Bragg
Publisher:
ISBN:
Category :
Languages : en
Pages : 628

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