First Principles Calculations For Optical Absorption Spectra And Polarizabilities Of Atomic Clusters
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Superhalogens & Superalkalis: Exploration of Structure, Properties and Applications
Author | : Ambrish Kumar Srivastava |
Publisher | : Frontiers Media SA |
Total Pages | : 99 |
Release | : 2022-12-07 |
Genre | : Science |
ISBN | : 2832508936 |
Computational Chemistry
Author | : Philippe G. Ciarlet |
Publisher | : Gulf Professional Publishing |
Total Pages | : 928 |
Release | : 1990 |
Genre | : Mathematics |
ISBN | : 9780444512482 |
Aiming to provide the reader with a general overview of the mathematical and numerical techniques used for the simulation of matter at the microscopic scale, this book lays the emphasis on the numerics, but modelling aspects are also addressed. The contributors come from different scientific communities: physics, theoretical chemistry, mathematical analysis, stochastic analysis, numerical analysis, and the text should be suitable for graduate students in mathematics, sciences and engineering and technology.
Electric-dipole Polarizabilities of Atoms, Molecules, and Clusters
Author | : Keith D. Bonin |
Publisher | : World Scientific |
Total Pages | : 274 |
Release | : 1997 |
Genre | : Science |
ISBN | : 9789810224936 |
This book is an in-depth review of experiment and theory on electric-dipole polarizabilities. It is broad in scope, encompassing atomic, molecular, and cluster polarizabilities. Both static and dynamic polarizabilities are treated (in the absence of absorption) and a full tensor picture of the polarizability is used. Traditional experimental techniques for measuring electric polarizabilities are described in detail. Recently developed experimental methods, including light forces, position-sensitive time-of-flight deflection, and atom interferometry, are also extensively discussed. Theoretical techniques for calculating polarizabilities are reviewed, including a discussion on the use of Gaussian basis sets. Many important comparisons between theory and experiment are summarized in an extensive set of tables of polarizabilities of important atoms, molecules, and clusters. Applications of polarizabilities to many areas of chemistry and physics are described, including optics, chemical structure, interactions of gases and particles with surfaces, and the interaction of molecules with light. The emphasis is on a lucid presentation of the ideas and results with up-to-date discussions on important applications such as optical tweezers and nanostructure fabrication. This book provides an excellent overview of the importance of polarizabilities in understanding the physical, electronic, and optical properties of particles in a regime that goes from free atoms to condensed-phase clusters.
Handbook of Computational Chemistry
Author | : Jerzy Leszczynski |
Publisher | : Springer Science & Business Media |
Total Pages | : 1451 |
Release | : 2012-01-13 |
Genre | : Science |
ISBN | : 9400707118 |
The role the Handbook of Computational Chemistry is threefold. It is primarily intended to be used as a guide that navigates the user through the plethora of computational methods currently in use; it explains their limitations and advantages; and it provides various examples of their important and varied applications. This reference work is presented in three volumes. Volume I introduces the different methods used in computational chemistry. Basic assumptions common to the majority of computational methods based on molecular, quantum, or statistical mechanics are outlined and special attention is paid to the limits of their applicability. Volume II portrays the applications of computational methods to model systems and discusses in detail molecular structures, the modelling of various properties of molecules and chemical reactions. Both ground and excited states properties are covered in the gas phase as well as in solution. This volume also describes Nanomaterials and covers topics such as clusters, periodic, and nano systems. Special emphasis is placed on the environmental effects of nanostructures. Volume III is devoted to the important class of Biomolecules. Useful models of biological systems considered by computational chemists are provided and RNA, DNA and proteins are discussed in detail. This volume presents examples of calcualtions of their properties and interactions and reveals the role of solvents in biologically important reactions as well as the structure function relationship of various classes of Biomolecules.
Metallic Systems
Author | : Thomas C. Allison |
Publisher | : CRC Press |
Total Pages | : 432 |
Release | : 2011-05-09 |
Genre | : Science |
ISBN | : 1420060864 |
Metallic systems are ubiquitous in daily life. They play key roles, for example, in the chemistry of many biomolecules, ionic solutions, nanoparticles, and catalytic processes. They may be in solid, liquid, or gaseous form. The interactions of other molecules with metal surfaces are of considerable importance. Each of these topics is addressed in M
Handbook of Nanophysics
Author | : Klaus D. Sattler |
Publisher | : CRC Press |
Total Pages | : 912 |
Release | : 2010-09-17 |
Genre | : Science |
ISBN | : 1420075551 |
The field of nanoscience was pioneered in the 1980s with the groundbreaking research on clusters, which later led to the discovery of fullerenes. Handbook of Nanophysics: Clusters and Fullerenes focuses on the fundamental physics of these nanoscale materials and structures. Each peer-reviewed chapter contains a broad-based introduction and enhances
Gold Chemistry
Author | : Fabian Mohr |
Publisher | : John Wiley & Sons |
Total Pages | : 425 |
Release | : 2009-04-20 |
Genre | : Science |
ISBN | : 3527320865 |
Written by world-class authors, this most recent major book on the topic highlights new and current trends as well as future directions. It is comprehensive in its scope, covering all aspects of gold chemistry -- from homogeneous to heterogeneous catalysis, from supramolecular assemblies to sensors and medicinal applications. The result is an invaluable work for both organic and inorganic chemists working in universities and industry, as well as material scientists.