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Electrostatics at the Molecular Level

2018-10-24 Science
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Release : 2018-10-24
Genre : Science
Kind : eBook
Book Rating : 865/5 ( reviews)

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Book Synopsis Electrostatics at the Molecular Level by : Ulrich Zürcher

Download or read book Electrostatics at the Molecular Level written by Ulrich Zürcher. This book was released on 2018-10-24. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Electrostatics at the Molecular Level

2018 SCIENCE
Download Electrostatics at the Molecular Level PDF Online Free

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Release : 2018
Genre : SCIENCE
Kind : eBook
Book Rating : 842/5 ( reviews)

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Book Synopsis Electrostatics at the Molecular Level by : Ulrich Zürcher (Professor of physics)

Download or read book Electrostatics at the Molecular Level written by Ulrich Zürcher (Professor of physics). This book was released on 2018. Available in PDF, EPUB and Kindle. Book excerpt: 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 of Atoms and Molecules

2000 Electrostatics
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Release : 2000
Genre : Electrostatics
Kind : eBook
Book Rating : 968/5 ( reviews)

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Book Synopsis Electrostatics of Atoms and Molecules by : Shridhar R. Gadre

Download or read book Electrostatics of Atoms and Molecules written by Shridhar R. Gadre. This book was released on 2000. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Computational Electrostatics for Biological Applications

2014-11-29 Science
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Release : 2014-11-29
Genre : Science
Kind : eBook
Book Rating : 118/5 ( reviews)

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Book Synopsis Computational Electrostatics for Biological Applications by : Walter Rocchia

Download or read book Computational Electrostatics for Biological Applications written by Walter Rocchia. This book was released on 2014-11-29. Available in PDF, EPUB and Kindle. Book excerpt: 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.

Molecular Electrostatic Potentials

1996-11-22 Science
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Release : 1996-11-22
Genre : Science
Kind : eBook
Book Rating : 859/5 ( reviews)

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Book Synopsis Molecular Electrostatic Potentials by : J.S. Murray

Download or read book Molecular Electrostatic Potentials written by J.S. Murray. This book was released on 1996-11-22. Available in PDF, EPUB and Kindle. Book excerpt: 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.

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