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Author : Victor N. Cherepanov,Yulia N. Kalugina,Mikhail A. Buldakov
Publisher : Unknown
Page : 109 pages
File Size : 55,8 Mb
Release : 2017
Category : Chemistry
ISBN : 3319490311
Author : Victor N. Cherepanov,Yulia N. Kalugina,Mikhail A. Buldakov
Publisher : Springer
Page : 112 pages
File Size : 43,9 Mb
Release : 2016-11-16
Category : Science
ISBN : 9783319490328
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 : G.C. Tabisz,Murray N. Neuman
Publisher : Springer Science & Business Media
Page : 581 pages
File Size : 45,8 Mb
Release : 2012-12-06
Category : Science
ISBN : 9789401101837
Collision-or interaction-induced spectroscopy refers to radiative transitions, which are forbidden in free atoms or molecules, but which occur in clusters of interacting atoms or molecules. The most common phenomena are induced absorption, in the infrared region, and induced light scattering, which involves inelastic scattering of visible laser light. The particle interactions giving rise to the necessary induced dipole moments and polarizabilities are modelled at long range by multipole expansions; at short range, electron overlap and exchange mechanisms come into play. Information on atomic and molecular interactions and dynamics in dense media on a picosecond timescale may be drawn from the spectra. Collision-induced absorption in the infrared was discovered at the University of Toronto in 1949 by Crawford, Welsh and Locke who studied liquid O and N. Through the 1950s and 1960s, 2 2 experimental elucidation of the phenomenon, particularly in gases, continued and theoretical underpinnings were established. In the late 1960s, the related phenomenon of collision-induced light scattering was first observed in compressed inert gases. In 1978, an 'Enrico Fermi' Summer School was held at Varenna, Italy, under the directorship of J. Van Kranendonk. The lectures, there, reviewed activity from the previous two decades, during which the approach to the subject had not changed greatly. In 1983, a highly successful NATO Advanced Research Workshop was held at Bonas, France, under the directorship of G. Birnbaum. An important outcome of that meeting was the demonstration of the maturity and sophistication of current experimental and theoretical techniques.
Author : Theodore Simos,George Maroulis
Publisher : CRC Press
Page : 1381 pages
File Size : 45,7 Mb
Release : 2019-04-29
Category : Computers
ISBN : 9780429530302
The International Conference of Computational Methods in Sciences and Engineering (ICCMSE) is unique in its kind. It regroups original contributions from all fields of the traditional Sciences, Mathematics, Physics, Chemistry, Biology, Medicine and all branches of Engineering. The aim of the conference is to bring together computational scientists from several disciplines in order to share methods and ideas. More than 370 extended abstracts have been submitted for consideration for presentation in ICCMSE 2004. From these, 289 extended abstracts have been selected after international peer review by at least two independent reviewers.
Author : W. Andrzej Sokalski
Publisher : Springer Science & Business Media
Page : 597 pages
File Size : 49,8 Mb
Release : 2007-05-06
Category : Science
ISBN : 9781402053726
Design of new molecular materials is emerging as a new interdisciplinary research field. Corresponding reports are scattered in literature, and this book constitutes one of the first attempts to overview ongoing research efforts. It provides basic information, as well as the details of theory and examples of its application, to experimentalists and theoreticians interested in modeling molecular properties and putting into practice rational design of new materials.
Author : Michael Springborg
Publisher : Royal Society of Chemistry
Page : 229 pages
File Size : 45,6 Mb
Release : 2012-09
Category : Reference
ISBN : 9781849734127
Reflecting the growing volume of published work in this field, researchers will find this book an invaluable source of information on current chemical modelling methods and applications.
Author : T. E. Simos
Publisher : World Scientific
Page : 724 pages
File Size : 52,9 Mb
Release : 2003
Category : Mathematics
ISBN : 9812704655
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 : John R. Sabin
Publisher : Academic Press
Page : 360 pages
File Size : 55,8 Mb
Release : 2014-02-10
Category : Science
ISBN : 9780128004500
Advances in Quantum Chemistry 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. It features detailed reviews written by leading international researchers. This volume focuses on the theory of heavy ion physics in medicine. This volume presents a series of articles concerning current important topics in quantum chemistry. The invited articles are written by the best people in the field
Author : Wai-Kee Li,Gong-Du Zhou,Thomas C. W. Mak,Thomas Mak
Publisher : Oxford University Press
Page : 842 pages
File Size : 43,5 Mb
Release : 2008-03-27
Category : Science
ISBN : 9780199216949
A revised and updated English edition of a textbook based on teaching at the final year undergraduate and graduate level. It presents structure and bonding, generalizations of structural trends, crystallographic data, as well as highlights from the recent literature.
Author : G. Maroulis,T. Bancewicz,B. Champagne
Publisher : IOS Press
Page : 544 pages
File Size : 53,6 Mb
Release : 2011-05-27
Category : Science
ISBN : 9781607507420
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 : Elson Longo,Felipe de Almeida La Porta
Publisher : Springer
Page : 454 pages
File Size : 55,6 Mb
Release : 2017-07-12
Category : Technology & Engineering
ISBN : 9783319538983
In this book we explore new approaches to understanding the physical and chemical properties of emergent complex functional materials, revealing a close relationship between their structures and properties at the molecular level. The primary focus of this book is on the ability to synthesize materials with a controlled chemical composition, a crystallographic structure, and a well-defined morphology. Special attention is also given to the interplay of theory, simulation and experimental results, in order to interconnect theoretical knowledge and experimental approaches, which can reveal new scientific and technological directions in several fields, expanding the versatility to yield a variety of new complex materials with desirable applications and functions. Some of the challenges and opportunities in this field are also discussed, targeting the development of new emergent complex functional materials with tailored properties to solve problems related to renewable energy, health, and environmental sustainability. A more fundamental understanding of the physical and chemical properties of new emergent complex functional materials is essential to achieving more substantial progress in a number of technological fields. With this goal in mind, the editors invited acknowledged specialists to contribute chapters covering a broad range of disciplines.
Author : Anonim
Publisher : Academic Press
Page : 392 pages
File Size : 53,7 Mb
Release : 1997-03-20
Category : Science
ISBN : 9780080582535
Advances in Quantum Chemistry publishes surveys of current developments in the rapidly developing field of quantum chemistry--a field that falls between the historically established areas of mathematics, physics,chemistry, and biology. With invited reviews written by leading international researchers, each presenting new results, this quality serial provides a single vehicle for following progress in this interdisciplinary area. "Volume 28 collects papers written in honor of Geerd H.F. Diercksen. Diercksen is a pioneer in the field of quantum mechanics whose research includes studies of the structure and stability of hydrogen-bonded and Van der Waals dimers and small clusters, thevibrational and rotational spectra of diatomic and triatomic molecules, on static electric properties in solutions and of molecules absorbed on surfaces. His results are essential in molecular and atomic physics, in astrophysics, and in biochemistry.
Author : Anatoly Pravilov
Publisher : Springer Nature
Page : 292 pages
File Size : 50,5 Mb
Release : 2021-02-22
Category : Science
ISBN : 9783030655709
This book provides details of the basic frameworks and characteristics of processes occurring in electronically excited states of small molecules, complexes, and clusters. It discusses the perturbations in electronically excited valence states of molecules induced by intramolecular interaction and intermolecular interactions, which occur in collisions and optically populated, weakly bound complexes. Further, it describes the kinetics and mechanisms of photoprocesses in simple molecules and recombination accompanied by radiation. The book also offers information on general kinetics for gas-phase processes and basic theoretical frameworks for elementary processes. It features many useful problems, making it a valuable resource for students and researchers in molecular spectroscopy/molecular physics and chemical physics/physical chemistry.
Author : Anthony Stone
Publisher : OUP Oxford
Page : 352 pages
File Size : 55,5 Mb
Release : 2013-02-01
Category : Science
ISBN : 9780191652950
The theory of intermolecular forces has advanced very greatly in recent years. It has become possible to carry out accurate calculations of intermolecular forces for molecules of useful size, and to apply the results to important practical applications such as understanding protein structure and function, and predicting the structures of molecular crystals. The Theory of Intermolecular Forces sets out the mathematical techniques that are needed to describe and calculate intermolecular interactions and to handle the more elaborate mathematical models. It describes the methods that are used to calculate them, including recent developments in the use of density functional theory and symmetry-adapted perturbation theory. The use of higher-rank multipole moments to describe electrostatic interactions is explained in both Cartesian and spherical tensor formalism, and methods that avoid the multipole expansion are also discussed. Modern ab initio perturbation theory methods for the calculation of intermolecular interactions are discussed in detail, and methods for calculating properties of molecular clusters and condensed matter for comparison with experiment are surveyed.
Author : Ilya Prigogine,Stuart A. Rice
Publisher : John Wiley & Sons
Page : 602 pages
File Size : 44,5 Mb
Release : 2009-09-08
Category : Science
ISBN : 9780470141854
The Advances in Chemical Physics series provides the chemical physics and physical chemistry fields with a forum for critical, authoritative evaluations of advances in every area of the discipline. Filled with cutting-edge research reported in a cohesive manner not found elsewhere in the literature, each volume of the Advances in Chemical Physics series serves as the perfect supplement to any advanced graduate class devoted to the study of chemical physics.