An Introduction to Distance Geometry applied to Molecular Geometry PDF Download
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Author: Carlile Lavor
Publisher: Springer
ISBN: 3319571834
Category : Computers
Languages : en
Pages : 59
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Book Description
This book is a pedagogical presentation aimed at advanced undergraduate students, beginning graduate students and professionals who are looking for an introductory text to the field of Distance Geometry, and some of its applications. This versions profits from feedback acquired at undergraduate/graduate courses in seminars and a number of workshops.
Author: Carlile Lavor
Publisher: Springer
ISBN: 3319571834
Category : Computers
Languages : en
Pages : 59
Get Book Here
Book Description
This book is a pedagogical presentation aimed at advanced undergraduate students, beginning graduate students and professionals who are looking for an introductory text to the field of Distance Geometry, and some of its applications. This versions profits from feedback acquired at undergraduate/graduate courses in seminars and a number of workshops.
Author: Antonio Mucherino
Publisher: Springer Science & Business Media
ISBN: 1461451280
Category : Mathematics
Languages : en
Pages : 436
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Book Description
This volume is a collection of research surveys on the Distance Geometry Problem (DGP) and its applications. It will be divided into three parts: Theory, Methods and Applications. Each part will contain at least one survey and several research papers. The first part, Theory, will deal with theoretical aspects of the DGP, including a new class of problems and the study of its complexities as well as the relation between DGP and other related topics, such as: distance matrix theory, Euclidean distance matrix completion problem, multispherical structure of distance matrices, distance geometry and geometric algebra, algebraic distance geometry theory, visualization of K-dimensional structures in the plane, graph rigidity, and theory of discretizable DGP: symmetry and complexity. The second part, Methods, will discuss mathematical and computational properties of methods developed to the problems considered in the first chapter including continuous methods (based on Gaussian and hyperbolic smoothing, difference of convex functions, semidefinite programming, branch-and-bound), discrete methods (based on branch-and-prune, geometric build-up, graph rigidity), and also heuristics methods (based on simulated annealing, genetic algorithms, tabu search, variable neighborhood search). Applications will comprise the third part and will consider applications of DGP to NMR structure calculation, rational drug design, molecular dynamics simulations, graph drawing and sensor network localization. This volume will be the first edited book on distance geometry and applications. The editors are in correspondence with the major contributors to the field of distance geometry, including important research centers in molecular biology such as Institut Pasteur in Paris.
Author: Leo Liberti
Publisher: Springer
ISBN: 3319607928
Category : Mathematics
Languages : en
Pages : 141
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Book Description
This textbook, the first of its kind, presents the fundamentals of distance geometry: theory, useful methodologies for obtaining solutions, and real world applications. Concise proofs are given and step-by-step algorithms for solving fundamental problems efficiently and precisely are presented in Mathematica®, enabling the reader to experiment with concepts and methods as they are introduced. Descriptive graphics, examples, and problems, accompany the real gems of the text, namely the applications in visualization of graphs, localization of sensor networks, protein conformation from distance data, clock synchronization protocols, robotics, and control of unmanned underwater vehicles, to name several. Aimed at intermediate undergraduates, beginning graduate students, researchers, and practitioners, the reader with a basic knowledge of linear algebra will gain an understanding of the basic theories of distance geometry and why they work in real life.
Author: G. M. Crippen
Publisher:
ISBN:
Category : Science
Languages : en
Pages : 566
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Book Description
Author: Ronald J Gillespie
Publisher: Courier Corporation
ISBN: 0486310523
Category : Science
Languages : en
Pages : 274
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Book Description
Valence Shell Electron Pair Repulsion (VSEPR) theory is a simple technique for predicting the geometry of atomic centers in small molecules and molecular ions. This authoritative reference was written by Istvan Hartiggai and the developer of VSEPR theory, Ronald J. Gillespie. In addition to its value as a text for courses in molecular geometry and chemistry, it constitutes a classic reference for professionals. Starting with coverage of the broader aspects of VSEPR, this volume narrows its focus to a succinct survey of the methods of structural determination. Additional topics include the applications of the VSEPR model and its theoretical basis. Helpful data on molecular geometries, bond lengths, and bond angles appear in tables and other graphics.
Author:
Publisher:
ISBN:
Category :
Languages : en
Pages : 347
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Book Description
Author: Timothy Franklin Havel
Publisher:
ISBN:
Category :
Languages : en
Pages : 0
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Book Description
Author: Kenny B. Lipkowitz
Publisher: John Wiley & Sons
ISBN: 0470126094
Category : Science
Languages : en
Pages : 482
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Book Description
Führende Experten auf dem Gebiet der Computer-Chemie präsentieren in dem fünften Band der erfolgreichen Reihe 'Reviews in Computational Chemistry' die neuesten Entwicklungen. Um den interessierten Chemiker auf dem aktuellen Stand zu halten, ist der Reihe im Anhang eine Liste mit der Software zum Thema beigefügt
Author: Carlile Lavor
Publisher: Springer
ISBN: 3319906658
Category : Mathematics
Languages : en
Pages : 128
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Book Description
This book offers a gentle introduction to key elements of Geometric Algebra, along with their applications in Physics, Robotics and Molecular Geometry. Major applications covered are the physics of space-time, including Maxwell electromagnetism and the Dirac equation; robotics, including formulations for the forward and inverse kinematics and an overview of the singularity problem for serial robots; and molecular geometry, with 3D-protein structure calculations using NMR data. The book is primarily intended for graduate students and advanced undergraduates in related fields, but can also benefit professionals in search of a pedagogical presentation of these subjects.
Author: Alison Rodger
Publisher: Butterworth-Heinemann
ISBN: 1483106039
Category : Science
Languages : en
Pages : 203
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Book Description
Molecular Geometry discusses topics relevant to the arrangement of atoms. The book is comprised of seven chapters that tackle several areas of molecular geometry. Chapter 1 reviews the definition and determination of molecular geometry, while Chapter 2 discusses the unified view of stereochemistry and stereochemical changes. Chapter 3 covers the geometry of molecules of second row atoms, and Chapter 4 deals with the main group elements beyond the second row. The book also talks about the complexes of transition metals and f-block elements, and then covers the organometallic compounds and transition metal clusters. The last chapter tackles the consequences of small, local variations in geometry. The text will be of great use to chemists who primarily deal with the properties of molecules and atoms.
