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Author: Victor N. Cherepanov Publisher: Springer ISBN: 331949032X Category : Science Languages : en Pages : 112
Book Description
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: Victor N. Cherepanov Publisher: Springer ISBN: 331949032X Category : Science Languages : en Pages : 112
Book Description
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 Simos Publisher: CRC Press ISBN: 0429530307 Category : Computers Languages : en Pages : 1381
Book Description
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 ISBN: 140205372X Category : Science Languages : en Pages : 597
Book Description
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: G.C. Tabisz Publisher: Springer Science & Business Media ISBN: 9401101833 Category : Science Languages : en Pages : 581
Book Description
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 E Simos Publisher: World Scientific ISBN: 9814485098 Category : Mathematics Languages : en Pages : 719
Book Description
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 ISBN: 0128004509 Category : Science Languages : en Pages : 357
Book Description
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: G. Maroulis Publisher: IOS Press ISBN: 1607507420 Category : Science Languages : en Pages : 544
Book Description
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: D.C. Clary Publisher: Elsevier ISBN: 0080538061 Category : Science Languages : en Pages : 363
Book Description
This book celebrates the career and scientific accomplishments of Professor David Buckingham, who is due to retire from his Chair at Cambridge University in 1997. The adopted format comprises reprints of a number of David Buckingham's key scientific papers, each one or two of these preceded by a review of the corresponding area of David's wide-ranging research interest. Each reviewer is recognised as an expert in that field of interest and has some close association with David Buckingham, as a scientific colleague and/or a former research student. The book should serve as a distinctive reference source, both retrospective and prospective, for the field of chemical physics with which the name A.D. Buckingham is associated. The editors opted to reprint a majority of early classic Buckingham papers, balanced by some of David Buckingham's more recent publications. Reprinted papers have been placed into a general scientific context that covers prior influences on, and later impacts by, the work nominated for review.
Author: Michael Springborg Publisher: Royal Society of Chemistry ISBN: 1849734127 Category : Reference Languages : en Pages : 229
Book Description
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: Victor N. Cherepanov
Author: Victor N. Cherepanov
Author: Theodore Simos
Author: W. Andrzej Sokalski
Author: G.C. Tabisz
Author: Theodore E Simos
Author: John R. Sabin
Author: G. Maroulis
Author: D.C. Clary
Author: Michael Springborg
Author: Jesús Juanós i Timoneda