Effects of Electric Fields on Structure and Reactivity
Effects of Electric Fields on Structure and Reactivity

Author: Sason Shaik

Publisher: Royal Society of Chemistry

Published: 2021-03-05

Total Pages: 447

ISBN-13: 1839163046

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Electric-field-mediated chemistry is an emerging topic that is rapidly growing and fanning out in many directions. It involves theoretical and experimental aspects, as well as intense interplay between them, including breakthrough achievements such as the proof-of-principle that a Diels–Alder reaction, which involves two simultaneous C–C bond making events, can be catalysed or inhibited simply by changing the direction of an oriented external-electric field (OEEF). This productive interplay between the theoretical and experimental branches of chemistry is continuing, and gradually defining a new sub-field wherein various sources of electric fields, whether external or built-in and designed, or even surface induced fields (plasmons), are brought to bear on chemical reactions, molecular structures, and nano-systems, leading to control of reactivity, selectivity, chirality, molecular orientations, changes in structure, and in dynamics. Written by leaders in the field, Effects of Electric Fields on Structure and Reactivity is the first book on this exciting topic. 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. Covering applications and recent theoretical developments, it is a useful resource for theoretical chemists and experimentalists alike.

Effects of Electric Fields on Structure and Reactivity
Effects of Electric Fields on Structure and Reactivity

Author: Sason S. Shaik

Publisher:

Published: 2021

Total Pages: 0

ISBN-13: 9781839161698

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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.

Possible Health Effects of Exposure to Residential Electric and Magnetic Fields
Possible Health Effects of Exposure to Residential Electric and Magnetic Fields

Author: National Research Council

Publisher: National Academies Press

Published: 1997-03-18

Total Pages: 379

ISBN-13: 0309054478

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Can the electric and magnetic fields (EMF) to which people are routinely exposed cause health effects? This volume assesses the data and draws conclusions about the consequences of human exposure to EMF. The committee examines what is known about three kinds of health effects associated with EMF: cancer, primarily childhood leukemia; reproduction and development; and neurobiological effects. This book provides a detailed discussion of hazard identification, dose-response assessment, exposure assessment, and risk characterization for each. Possible Health Effects of Exposure to Residential Electric and Magnetic Fields also discusses the tools available to measure exposure, common types of exposures, and what is known about the effects of exposure. The committee looks at correlations between EMF exposure and carcinogenesis, mutagenesis, neurobehavioral effects, reproductive and developmental effects, effects on melatonin and other neurochemicals, and effects on bone healing and stimulated cell growth.

Free Energy Calculations
Free Energy Calculations

Author: Christophe Chipot

Publisher: Springer Science & Business Media

Published: 2007-01-08

Total Pages: 528

ISBN-13: 3540384472

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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.

Crystalline Electric Field Effects in f-Electron Magnetism
Crystalline Electric Field Effects in f-Electron Magnetism

Author: Robert Guertin

Publisher: Springer Science & Business Media

Published: 2012-12-06

Total Pages: 571

ISBN-13: 1468486462

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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.

Molecules in Electromagnetic Fields
Molecules in Electromagnetic Fields

Author: Roman V. Krems

Publisher: John Wiley & Sons

Published: 2018-06-19

Total Pages: 384

ISBN-13: 1118173619

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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.

Handbook of Electroporation
Handbook of Electroporation

Author: Damijan Miklavčič

Publisher: Springer

Published: 2017-09-14

Total Pages: 0

ISBN-13: 9783319328850

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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.

Molecular Beams in Physics and Chemistry
Molecular Beams in Physics and Chemistry

Author: Bretislav Friedrich

Publisher: Springer Nature

Published: 2021-06-19

Total Pages: 639

ISBN-13: 3030639630

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This Open Access book gives a comprehensive account of both the history and current achievements of molecular beam research. In 1919, Otto Stern launched the revolutionary molecular beam technique. This technique made it possible to send atoms and molecules with well-defined momentum through vacuum and to measure with high accuracy the deflections they underwent when acted upon by transversal forces. These measurements revealed unforeseen quantum properties of nuclei, atoms, and molecules that became the basis for our current understanding of quantum matter. This volume shows that many key areas of modern physics and chemistry owe their beginnings to the seminal molecular beam work of Otto Stern and his school. Written by internationally recognized experts, the contributions in this volume will help experienced researchers and incoming graduate students alike to keep abreast of current developments in molecular beam research as well as to appreciate the history and evolution of this powerful method and the knowledge it reveals.

Brain and Human Body Modeling
Brain and Human Body Modeling

Author: Sergey Makarov

Publisher: Springer Nature

Published: 2019-08-27

Total Pages: 398

ISBN-13: 3030212939

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This open access book describes modern applications of computational human modeling with specific emphasis in the areas of neurology and neuroelectromagnetics, depression and cancer treatments, radio-frequency studies and wireless communications. Special consideration is also given to the use of human modeling to the computational assessment of relevant regulatory and safety requirements. Readers working on applications that may expose human subjects to electromagnetic radiation will benefit from this book’s coverage of the latest developments in computational modelling and human phantom development to assess a given technology’s safety and efficacy in a timely manner. Describes construction and application of computational human models including anatomically detailed and subject specific models; Explains new practices in computational human modeling for neuroelectromagnetics, electromagnetic safety, and exposure evaluations; Includes a survey of modern applications for which computational human models are critical; Describes cellular-level interactions between the human body and electromagnetic fields.

Protein Simulations
Protein Simulations

Author: Valerie Daggett

Publisher: Elsevier

Published: 2003-11-26

Total Pages: 477

ISBN-13: 0080493785

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Protein Simulation focuses on predicting how protein will act in vivo. These studies use computer analysis, computer modeling, and statistical probability to predict protein function.* Force Fields* Ligand Binding* Protein Membrane Simulation* Enzyme Dynamics* Protein Folding and unfolding simulations