Electrostatics At The Molecular Level
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Electrostatics At The Molecular Level
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Author : Zurcher Ulrich
language : en
Publisher:
Release Date : 2018
Electrostatics At The Molecular Level written by Zurcher Ulrich and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2018 with categories.
Electrostatics At The Molecular Level
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Author : Ulrich Zürcher (Professor of physics)
language : en
Publisher:
Release Date : 2018
Electrostatics At The Molecular Level written by Ulrich Zürcher (Professor of physics) and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2018 with SCIENCE categories.
Electrostatic forces are essential for the hierarchical structure of matter: electrons are bound to the atomic nucleus by electrostatic forces; atoms carry (partial) charges and ions with opposite charges attract and form (chemical) bonds. Small residual electrostatic forces between molecules allow them to form macroscopic structures such as crystals. Electrostatic interactions explain pseudo-forces used in popular computer programs used to model the properties of atoms, molecules, and proteins. By beginning with the basics and then diving deeper into the topic, this book aims to familiarize the reader with electrostatic forces at the atomic and molecular level.
Electrostatics At The Molecular Level
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Author : Ulrich Zürcher
language : en
Publisher: Morgan & Claypool Publishers
Release Date : 2018-10-24
Electrostatics At The Molecular Level written by Ulrich Zürcher and has been published by Morgan & Claypool Publishers this book supported file pdf, txt, epub, kindle and other format this book has been release on 2018-10-24 with Science categories.
Electrostatic forces are essential for the hierarchical structure of matter: electrons are bound to the atomic nucleus by electrostatic forces; atoms carry (partial) charges and ions with opposite charges attract and form (chemical) bonds. Small residual electrostatic forces between molecules allow them to form macroscopic structures such as crystals. Electrostatic interactions explain pseudo-forces used in popular computer programs used to model properties of atoms, molecules, and proteins. By beginning with the basics and then diving deeper into the topic, this book aims to familiarize the reader with electrostatic forces at the atomic and molecular level.
Computational Electrostatics For Biological Applications
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Author : Walter Rocchia
language : en
Publisher: Springer
Release Date : 2014-11-29
Computational Electrostatics For Biological Applications written by Walter Rocchia and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2014-11-29 with Science categories.
This book presents established and new approaches to perform calculations of electrostatic interactions at the nanoscale, with particular focus on molecular biology applications. It is based on the proceedings of the Computational Electrostatics for Biological Applications international meeting, which brought together researchers in computational disciplines to discuss and explore diverse methods to improve electrostatic calculations. Fostering an interdisciplinary approach to the description of complex physical and biological problems, this book encompasses contributions originating in the fields of geometry processing, shape modeling, applied mathematics, and computational biology and chemistry. The main topics covered are theoretical and numerical aspects of the solution of the Poisson-Boltzmann equation, surveys and comparison among geometric approaches to the modelling of molecular surfaces and related discretization and computational issues. It also includes a number of contributions addressing applications in biology, biophysics and nanotechnology. The book is primarily intended as a reference for researchers in the computational molecular biology and chemistry fields. As such, it also aims at becoming a key source of information for a wide range of scientists who need to know how modeling and computing at the molecular level may influence the design and interpretation of their experiments.
Electrostatics Of Atoms And Molecules
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Author : Shridhar R. Gadre
language : en
Publisher: Universities Press
Release Date : 2000
Electrostatics Of Atoms And Molecules written by Shridhar R. Gadre and has been published by Universities Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2000 with Electrostatics categories.
This book introduces the subject of molecular electrostatics to postgraduate students, teachers and young researchers in chemistry, physics and biology. It discusses rigorous as well as applied aspects of the molecular electrostatic potential (MESP) and provides an essence of relevant mathematical arguments, without going into detailed derivations. A number of color illustrations highlight the salient features of MESP.
Molecular Electrostatic Potentials
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Author : J.S. Murray
language : en
Publisher: Elsevier
Release Date : 1996-11-22
Molecular Electrostatic Potentials written by J.S. Murray and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 1996-11-22 with Science categories.
Over the past 25 years, the molecular electrostatic potential has become firmly established as an effective guide to molecular interactions. With the recent advances in computational technology, it is currently being applied to a variety of important chemical and biological systems. Its range of applicability has expanded from primarily a focus on sites for electrophilic and nucleophilic attack to now include solvent effects, studies of zeolite, molecular cluster and crystal behavior, and the correlation and prediction of a wide range of macroscopic properties. Moreover, the increasing prominence of density functional theory has raised the molecular electrostatic potential to a new stature on a more fundamental conceptual level. It is rigorously defined in terms of the electron density, and has very interesting topological characteristics since it explicitly reflects opposing contributions from the nuclei and the electrons. This volume opens with a survey chapter by one of the original pioneers of the use of the electrostatic potential in studies of chemical reactivity, Jacopo Tomasi. Though the flow of the succeeding chapters is not stringently defined, the overall trend is that the emphasis changes gradually from methodology to applications. Chapters discussing more theoretical topics are placed near the end. Readers will find the wide variety of topics provided by an international group of authors both convincing and useful.
Electrical Interactions In Molecular Biophysics
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Author : Raymond Gabler
language : en
Publisher: Elsevier
Release Date : 2012-12-02
Electrical Interactions In Molecular Biophysics written by Raymond Gabler and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-12-02 with Science categories.
Electrical Interactions in Molecular Biophysics: An Introduction deals with electrical interactions between biomolecules and therefore encompasses two disciplines, molecular biology and physics. The emphasis is on the electrical nature of biochemical or molecular biological reactions. The principles of electrostatics are used to explain some of the basic units of structure on a molecular level. Comprised of nine chapters, this book opens with an overview of the concepts and structures of biochemistry, with particular reference to different structural biochemical groups and how they are used as building blocks in forming molecules. The following chapters discuss the basics of elementary electrostatics; dielectric constants and dipoles; the dipole moments of biomolecules; van der Waals forces; and Debye-Huckel theory. Water and water structure are also considered from a physical standpoint. The final chapter is devoted to experimental techniques that rely upon the electrical properties of biomolecules and explains what types of information can be obtained from each experimental form. This monograph will be of interest to students and practitioners in biochemistry, molecular biology, biophysics, or microbiology.
Chemical Applications Of Atomic And Molecular Electrostatic Potentials
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Author : Peter Politzer
language : en
Publisher: Springer Science & Business Media
Release Date : 2013-06-29
Chemical Applications Of Atomic And Molecular Electrostatic Potentials written by Peter Politzer and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-06-29 with Science categories.
On March 26-27, 1980, a symposium organized by one of us (P. P. ) was held at the l79th American Chemical Society National ~1eeting in Houston, Texas, under the sponsorship of the Theoretical Chemistry Subdivision of the Division of Physical Chemistry. The symposium was entitled "The Role of the Electrostatic Potential in Chemistry," and it served as a stimulus for this book. The original scope and coverage have been broadened, however; included here, in addition to contributions from the eleven invited symposium speakers and two of the poster-session participants, are four papers that were specially invited for this book. Furthermore, several authors have taken this opportunity to present at least partial reviews of the areas being discussed. Most of the manuscripts were completed in the late spring and early summer of 1980. We hope that this book will achieve two goals: First, we are trying to provide an overall picture, including recent advances, of current chemical research, both fundamental and applied, involving the electrostatic potential. Second, we want to convey an appreci ation of both the powers and also the limitations of the electro static potential approach. In order to achieve these goals, we have selected contributors whose research areas provide a very broad coverage of the field. Throughout the book, we have used a. u.
Electrostatics At The Molecular Level
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Author : Ulrich Zürcher
language : zh-CN
Publisher:
Release Date : 2021
Electrostatics At The Molecular Level written by Ulrich Zürcher and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2021 with Electrostatics categories.
Manipulation Of Matrix Isolated Molecules And Molecular Clusters With Electrostatic Fields
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Author : Youngwook Park
language : en
Publisher: Springer Nature
Release Date : 2020-10-01
Manipulation Of Matrix Isolated Molecules And Molecular Clusters With Electrostatic Fields written by Youngwook Park and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-10-01 with Science categories.
This book describes the manipulation of molecular properties, such as orientation, structure, and dynamics, of small molecules and molecular clusters isolated in cold inert matrices by using unprecedentedly strong external electrostatic fields. Manipulation of molecules with controllable external forces is a dream of chemists. Molecules are inherently quantum-mechanical systems, control of which potentially can lead to quantum technology, such as quantum sensing and computing. This book demonstrates a combination of the ice film nanocapacitor method and the matrix isolation technique enabled the application of intense external dc electric fields across the isolated molecules and molecular clusters. Changes in molecular states induced by fields were monitored by means of vibrational spectroscopy. Also, the book presents manipulations of the inversion tunneling dynamics of ammonia molecule and the dislocation of acidic proton in hydrogen chloride–water complex. The book shows that the vibrational spectroscopy with the aid of unprecedentedly strong dc electric field can provide rich information on the electrostatic behaviors of molecules and molecular clusters, which underlie the understanding of intermolecular processes and molecular manipulation.