[PDF] Computational Aspects Of Electric Polarizability Calculations eBook

Author : George Maroulis
Publisher : IOS Press
Page : 542 pages
File Size : 28,26 MB
Release : 2006
Category : Science
ISBN : 9781586036430

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Covers such subjects as: Ab initio and Density functional theory calculations of electric polarizability and hyperpolarizability, intermolecular forces, aromaticity, electric properties of solvated molecules, NLO materials, Raman intensities, polarizability of metal and semiconductor clusters, relativistic effects on electric properties, and more.

Author : George Maroulis
Publisher : Imperial College Press
Page : 694 pages
File Size : 42,75 MB
Release : 2006
Category : Technology & Engineering
ISBN : 1860948863

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With the central importance of electric polarizability and hyperpolarizability for a wide spectrum of activities, this book charts the trends in the accurate theoretical determination of these properties in specialized fields. The contributions include reviews and original papers that extend from methodology to applications in specific areas of primary importance such as cluster science and organic synthesis of molecules with specific properties.

Author : G. Maroulis
Publisher : IOS Press
Page : 544 pages
File Size : 24,86 MB
Release : 2011-05-27
Category : Science
ISBN : 1607507420

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The papers collected in this volume in honor of the late Stanisław Kielich cover an impressive range of modern subjects in molecular science. These subjects include, among others, the nonlinear optics of molecules, new approaches to the electronic structure of large molecules, the properties of carbon nanotubes, fluorescence polarization spectroscopy, computational studies of systems of fundamental interest to collision-induced spectroscopy, the simulation of fluids, NLO materials, chemical bonding in complex molecules, the NLO properties of functionalized DNA and the magnetic properties of molecular assemblies. Written by eminent specialists, the papers should offer valuable guidance to a wide community of graduate students and researchers.

Author : George Maroulis
Publisher : CRC Press
Page : 605 pages
File Size : 43,33 MB
Release : 2006-10-27
Category : Mathematics
ISBN : 9004155414

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This volume contains a collection of the lectures of the invited speakers and symposium organizers presented at the International Conference of Computational methods in Science and Engineering (ICCMSE 2006), held in Chania, Greece, October 2006. The content of the papers bears upon new developments of Computational Science pertinent to Physics, Chemistry, Biology, Medicine, Mathematics and Engineering. Molecular Science is a privileged ground for the application and evaluation of new mathematical tools and computational methods. In recent years, novelty and progress with greatest conceivable speed is common experience. This flavor of research findings carrying many consequences for distant fields is easily evidenced in the lectures collected in this volume.

Author : George Maroulis
Publisher : World Scientific
Page : 693 pages
File Size : 22,79 MB
Release : 2006-07-31
Category : Science
ISBN : 1908979747

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With the central importance of electric polarizability and hyperpolarizability for a wide spectrum of activities, this book charts the trends in the accurate theoretical determination of these properties in specialized fields. The contributions include reviews and original papers that extend from methodology to applications in specific areas of primary importance such as cluster science and organic synthesis of molecules with specific properties./a

Author : Victor N. Cherepanov
Publisher : Springer
Page : 112 pages
File Size : 24,19 MB
Release : 2016-11-16
Category : Science
ISBN : 331949032X

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This brief explains the theory of the interaction-induced electrical properties of van der Waals complexes. It focuses on the interaction-induced electrical dipole moments, polarizabilities and first hyperpolarizabilities of atom-atomic, atom-molecular and molecular-molecular van der Waals complexes.

Author : Theodore E Simos
Publisher : World Scientific
Page : 719 pages
File Size : 46,91 MB
Release : 2003-08-26
Category : Mathematics
ISBN : 9814485098

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In the past few decades, many significant insights have been gained into several areas of computational methods in sciences and engineering. New problems and methodologies have appeared in some areas of sciences and engineering. There is always a need in these fields for the advancement of information exchange.The aim of this book is to facilitate the sharing of ideas, problems and methodologies between computational scientists and engineers in several disciplines. Extended abstracts of papers on the recent advances regarding computational methods in sciences and engineering are provided. The book briefly describes new methods in numerical analysis, computational mathematics, computational and theoretical physics, computational and theoretical chemistry, computational biology, computational mechanics, computational engineering, computational medicine, high performance computing, etc.

Author :
Publisher : Academic Press
Page : 249 pages
File Size : 48,55 MB
Release : 2016-01-14
Category : Science
ISBN : 012803985X

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Concepts of Mathematical Physics in Chemistry: A Tribute to Frank E. Harris - Part B, presents a series of articles concerning important topics in quantum chemistry, including surveys of current topics in this rapidly-developing field that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry, and biology. Presents surveys of current topics in this rapidly-developing field that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry, and biology Features detailed reviews written by leading international researchers

Author : Fabian Mohr
Publisher : John Wiley & Sons
Page : 425 pages
File Size : 40,7 MB
Release : 2009-04-20
Category : Science
ISBN : 3527320865

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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.

Author : Sławomir J. Grabowski
Publisher : MDPI
Page : 323 pages
File Size : 34,42 MB
Release : 2018-09-27
Category : Science
ISBN : 3038422452

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This book is a printed edition of the Special Issue "Analysis of Hydrogen Bonds in Crystals" that was published in Crystals