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Author: Sason S. Shaik
Publisher:
Published: 2021
Total Pages: 0
ISBN-13: 9781839161698
DOWNLOAD EBOOK →Starting with an overview of the theory behind - and demonstrations of the effect of - electric fields on structure and reactivity, this accessible reference work aims to encourage those new to the field to consider harnessing these effects in their own work.
Author: Robert Guertin
Publisher: Springer Science & Business Media
Published: 2012-12-06
Total Pages: 571
ISBN-13: 1468486462
DOWNLOAD EBOOK →The present conference, the fourth successive on this subject, was organized to commemorate the 75th birthday of Professor Wtodzimierz Trzebiatowski, one of the pioneers in the field of f-electron materials structure, particularly in the magnetism of actinides. This volume contains 64 papers presented at the conference held in Wroctaw, Poland, September 22-25, 1981. Twenty-one were invited talks. About 100 participants from 13 countries attended the meeting during four days of lecture presentation (note these two numbers have been constant for the last two conferences). The conference consisted of sessions devoted to the investigation of crystalline electric fields and structural effects by spectroscopic techniques, neutron diffraction, magnetic, thermodynamic and electrical measurements all over broad temperature, magnetic field and pressure ranges. Materials investigated included rare earth intermetallics, hydrides, diluted systems and actinides, and among them some exhibited singlet ground state behavior. The experimental results were supplemented by theory. It is our pleasure to mention those persons who helped us make the conference successful. The International Advisory Com mittee included W.J.L. Buyers, B.R. Cooper, J.E. Crow, P. Fulde, A. Furrer, T. Kasuya, L. Kowalewski, G.R. Lander, R. Lemaire and D. Wohlleben. We thank them for valuable suggestions concerning invited speakers. We also wish to thank the co-workers of the In stitute for Low Temperature and Structure Research of the Polish Academy of Sciences in Wroclaw, especially A. Baran, M. Grzebyk, K.
Author: George Maroulis
Publisher: Imperial College Press
Published: 2006
Total Pages: 694
ISBN-13: 1860948863
DOWNLOAD EBOOK →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: Roman V. Krems
Publisher: John Wiley & Sons
Published: 2018-06-19
Total Pages: 384
ISBN-13: 1118173619
DOWNLOAD EBOOK →A tutorial for calculating the response of molecules to electric and magnetic fields with examples from research in ultracold physics, controlled chemistry, and molecular collisions in fields Molecules in Electromagnetic Fields is intended to serve as a tutorial for students beginning research, theoretical or experimental, in an area related to molecular physics. The author—a noted expert in the field—offers a systematic discussion of the effects of static and dynamic electric and magnetic fields on the rotational, fine, and hyperfine structure of molecules. The book illustrates how the concepts developed in ultracold physics research have led to what may be the beginning of controlled chemistry in the fully quantum regime. Offering a glimpse of the current state of the art research, this book suggests future research avenues for ultracold chemistry. The text describes theories needed to understand recent exciting developments in the research on trapping molecules, guiding molecular beams, laser control of molecular rotations, and external field control of microscopic intermolecular interactions. In addition, the author presents the description of scattering theory for molecules in electromagnetic fields and offers practical advice for students working on various aspects of molecular interactions. This important text: Offers information on theeffects of electromagnetic fields on the structure of molecular energy levels Includes thorough descriptions of the most useful theories for ultracold molecule researchers Presents a wealth of illustrative examples from recent experimental and theoretical work Contains helpful exercises that help to reinforce concepts presented throughout text Written for senior undergraduate and graduate students, professors, researchers, physicists, physical chemists, and chemical physicists, Molecules in Electromagnetic Fields is an interdisciplinary text describing theories and examples from the core of contemporary molecular physics.
Author: Christophe Chipot
Publisher: Springer Science & Business Media
Published: 2007-01-08
Total Pages: 528
ISBN-13: 3540384472
DOWNLOAD EBOOK →Free energy constitutes the most important thermodynamic quantity to understand how chemical species recognize each other, associate or react. Examples of problems in which knowledge of the underlying free energy behaviour is required, include conformational equilibria and molecular association, partitioning between immiscible liquids, receptor-drug interaction, protein-protein and protein-DNA association, and protein stability. This volume sets out to present a coherent and comprehensive account of the concepts that underlie different approaches devised for the determination of free energies. The reader will gain the necessary insight into the theoretical and computational foundations of the subject and will be presented with relevant applications from molecular-level modelling and simulations of chemical and biological systems. Both formally accurate and approximate methods are covered using both classical and quantum mechanical descriptions. A central theme of the book is that the wide variety of free energy calculation techniques available today can be understood as different implementations of a few basic principles. The book is aimed at a broad readership of graduate students and researchers having a background in chemistry, physics, engineering and physical biology.
Author: Damijan Miklavčič
Publisher: Springer
Published: 2017-09-14
Total Pages: 0
ISBN-13: 9783319328850
DOWNLOAD EBOOK →This major reference work is a one-shot knowledge base on electroporation and the use of pulsed electric fields of high intensity and their use in biology, medicine, biotechnology, and food and environmental technologies. The Handbook offers a widespread and well-structured compilation of 156 chapters ranging from the foundations to applications in industry and hospital. It is edited and written by most prominent researchers in the field. With regular updates and growing in its volume it is suitable for academic readers and researchers regardless of their disciplinary expertise, and will also be accessible to students and serious general readers. The Handbook's 276 authors have established scholarly credentials and come from a wide range of disciplines. This is crucially important in a highly interdisciplinary field of electroporation and the use of pulsed electric fields of high intensity and its applications in different fields from medicine, biology, food processing, agriculture, process engineering, energy and environment. An Editorial Board of distinguished scholars from across the world has selected and reviewed the various chapters to ensure the highest quality of this Handbook. The book was edited by an international team of Section Editors: P. Thomas Vernier, Boris Rubinsky, Juergen Kolb, Damijan Miklavcic, Marie-Pierre Rols, Javier Raso, Richard Heller, Gregor Serša, Dietrich Knorr, and Eugene Vorobiev.
Author: Orlando Tapia
Publisher: Springer Science & Business Media
Published: 2003-07-31
Total Pages: 396
ISBN-13: 9781402004179
DOWNLOAD EBOOK →This book presents an up-to-date view of theories, practical methods and applications of solvent effects and chemical reactivity in condensed phases. Subjects treated include continuum solvation models, the theoretical basis for the treatment of solvent effects in density functional theory, Monte Carlo simulations of chemical reactions in solution, DFT molecular dynamics simulations, crossing the transition state in solution, valence bond multi-state approach to chemical reactions in solution, quantum theory of solvent effects and chemical reactions. The approaches taken as well as the resulting findings are discussed in detail, thus covering a large part of the methodology currently used in this field. Audience: This volume will be useful to graduate students in chemistry, physical chemistry and biochemistry, to research workers with a background in quantum chemistry and quantum mechanics, to pure and applied quantum chemists, and to industrial molecular modellers.
Author: G. Vergoten
Publisher: Springer Science & Business Media
Published: 2012-12-06
Total Pages: 327
ISBN-13: 9401154848
DOWNLOAD EBOOK →Biomolecular Structure and Dynamics describes recent fundamental advances in the experimental and theoretical study of molecular dynamics and stochastic dynamic simulations, X-ray crystallography and NMR of biomolecules, the structure of proteins and its prediction, time resolved Fourier transform IR spectroscopy of biomolecules, the computation of free energy, applications of vibrational CD of nucleic acids, and solid state NMR. Further presentations include recent advances in UV resonance Raman spectroscopy of biomolecules, semiempirical MO methods, empirical force fields, quantitative studies of the structure of proteins in water by Fourier transform IR, and density functional theory. Metal-ligand interactions, DFT treatment of organometallic and biological systems, and simulation vs. X-ray and far IR experiments are also discussed in some detail. The book provides a broad perspective of the current theoretical aspects and recent experimental findings in the field of biomolecular dynamics, revealing future research trends, especially in areas where theoreticians and experimentalists could fruitfully collaborate.
Author: Yoav Tsori
Publisher: World Scientific
Published: 2009
Total Pages: 294
ISBN-13: 9814271691
DOWNLOAD EBOOK →This unique book aims to expose the reader to a wide range of phenomena occurring when soft matter systems are put under the influence of an external electric field. The book shows how an electric field can be used to affect objects at the submicron scale, and how it controls the phase behavior of liquids and polymers. The main focus is on the basic underlying mechanisms. Some technological applications are dealt with as well. Book chapters are arranged in a logical order, from OC simpleOCO systems to more complicated ones. In addition, each topic is covered by the mixed bag of theory, experiment and simulation; and this will give the reader a broad perspective of the underlying physical phenomena."
