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Structure Methods
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Book Synopsis Electronic Structure by : Richard M. Martin
Download or read book Electronic Structure written by Richard M. Martin and published by Cambridge University Press. This book was released on 2004-04-08 with total page 658 pages. Available in PDF, EPUB and Kindle. Book excerpt: An important graduate textbook in condensed matter physics by highly regarded physicist.
Book Synopsis Design Structure Matrix Methods and Applications by : Steven D. Eppinger
Download or read book Design Structure Matrix Methods and Applications written by Steven D. Eppinger and published by MIT Press. This book was released on 2012-05-25 with total page 347 pages. Available in PDF, EPUB and Kindle. Book excerpt: An introduction to a powerful and flexible network modeling tool for developing and understanding complex systems, with many examples from a range of industries. Design structure matrix (DSM) is a straightforward and flexible modeling technique that can be used for designing, developing, and managing complex systems. DSM offers network modeling tools that represent the elements of a system and their interactions, thereby highlighting the system's architecture (or designed structure). Its advantages include compact format, visual nature, intuitive representation, powerful analytical capacity, and flexibility. Used primarily so far in the area of engineering management, DSM is increasingly being applied to complex issues in health care management, financial systems, public policy, natural sciences, and social systems. This book offers a clear and concise explanation of DSM methods for practitioners and researchers.
Book Synopsis Methods of Electronic Structure Theory by : Henry F. Schaefer
Download or read book Methods of Electronic Structure Theory written by Henry F. Schaefer and published by Springer Science & Business Media. This book was released on 2013-06-29 with total page 476 pages. Available in PDF, EPUB and Kindle. Book excerpt: These two volumes deal with the quantum theory of the electronic structure of molecules. Implicit in the term ab initio is the notion that approximate solutions of Schrödinger's equation are sought "from the beginning," i. e. , without recourse to experimental data. From a more pragmatic viewpoint, the distin guishing feature of ab initio theory is usually the fact that no approximations are involved in the evaluation of the required molecular integrals. Consistent with current activity in the field, the first of these two volumes contains chapters dealing with methods per se, while the second concerns the application of these methods to problems of chemical interest. In asense, the motivation for these volumes has been the spectacular recent success of ab initio theory in resolving important chemical questions. However, these applications have only become possible through the less visible but equally important efforts of those develop ing new theoretical and computational methods and models. Henry F Schaefer Vll Contents Contents of Volume 4 XIX Chapter 1. Gaussian Basis Sets for Molecular Calculations Thom. H. Dunning, Ir. and P. Ieffrey Hay 1. Introduction . . . . . . . . . . . . . . . . 1 1. 1. Slater Functions and the Hydrogen Moleeule 1 1. 2. Gaussian Functions and the Hydrogen Atom 3 2. Hartree-Fock Calculations on the First Row Atoms 5 2. 1. Valence States of the First Row Atoms 6 7 2. 2. Rydberg States of the First Row Atoms 9 2. 3.
Book Synopsis Modern Methods of Crystal Structure Prediction by : Artem R. Oganov
Download or read book Modern Methods of Crystal Structure Prediction written by Artem R. Oganov and published by John Wiley & Sons. This book was released on 2011-08-04 with total page 378 pages. Available in PDF, EPUB and Kindle. Book excerpt: Gathering leading specialists in the field of structure prediction, this book provides a unique view of this complex and rapidly developing field, reflecting the numerous viewpoints of the different authors. A summary of the major achievements over the last few years and of the challenges still remaining makes this monograph very timely.
Book Synopsis Electronic Structure Methods for Complex Materials by : Wai-Yim Ching
Download or read book Electronic Structure Methods for Complex Materials written by Wai-Yim Ching and published by OUP Oxford. This book was released on 2012-05-17 with total page 328 pages. Available in PDF, EPUB and Kindle. Book excerpt: Density functional theory (DFT) has blossomed in the past few decades into a powerful tool that is used by experimentalists and theoreticians alike. This book highlights the extensive contributions that the DFT-based OLCAO method has made to progress in this field, and it demonstrates its competitiveness for performing ab initio calculations on large and complex models of practical systems. A brief historical account and introduction to the elements of the theory set the stage for discussions on semiconductors, insulators, crystalline metals and alloys, complex crystals, non-crystalline solids and liquids, microstructure containing systems and those containing impurities, defects, and surfaces, biomolecular systems, and the technique of ab initio core level spectroscopy calculation.
Book Synopsis Proceedings of MEST 2012: Electronic Structure Methods with Applications to Experimental Chemistry by : Philip E. Hoggan
Download or read book Proceedings of MEST 2012: Electronic Structure Methods with Applications to Experimental Chemistry written by Philip E. Hoggan and published by Academic Press. This book was released on 2014-01-03 with total page 337 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advances in Quantum Chemistry presents surveys of current topics in this rapidly developing field that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry, and biology. It features detailed reviews written by leading international researchers. This volume focuses on the theory of heavy ion physics in medicine. - Advances in Quantum Chemistry presents surveys of current topics in this rapidly developing field and this volume focuses on the theory of heavy ion physics in medicine
Book Synopsis Computational Fluid-Structure Interaction by : Yuri Bazilevs
Download or read book Computational Fluid-Structure Interaction written by Yuri Bazilevs and published by John Wiley & Sons. This book was released on 2013-01-25 with total page 444 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational Fluid-Structure Interaction: Methods and Applications takes the reader from the fundamentals of computational fluid and solid mechanics to the state-of-the-art in computational FSI methods, special FSI techniques, and solution of real-world problems. Leading experts in the field present the material using a unique approach that combines advanced methods, special techniques, and challenging applications. This book begins with the differential equations governing the fluid and solid mechanics, coupling conditions at the fluid–solid interface, and the basics of the finite element method. It continues with the ALE and space–time FSI methods, spatial discretization and time integration strategies for the coupled FSI equations, solution techniques for the fully-discretized coupled equations, and advanced FSI and space–time methods. It ends with special FSI techniques targeting cardiovascular FSI, parachute FSI, and wind-turbine aerodynamics and FSI. Key features: First book to address the state-of-the-art in computational FSI Combines the fundamentals of computational fluid and solid mechanics, the state-of-the-art in FSI methods, and special FSI techniques targeting challenging classes of real-world problems Covers modern computational mechanics techniques, including stabilized, variational multiscale, and space–time methods, isogeometric analysis, and advanced FSI coupling methods Is in full color, with diagrams illustrating the fundamental concepts and advanced methods and with insightful visualization illustrating the complexities of the problems that can be solved with the FSI methods covered in the book. Authors are award winning, leading global experts in computational FSI, who are known for solving some of the most challenging FSI problems Computational Fluid-Structure Interaction: Methods and Applications is a comprehensive reference for researchers and practicing engineers who would like to advance their existing knowledge on these subjects. It is also an ideal text for graduate and senior-level undergraduate courses in computational fluid mechanics and computational FSI.
Book Synopsis The Surprising Power of Liberating Structures by : Henri Lipmanowicz
Download or read book The Surprising Power of Liberating Structures written by Henri Lipmanowicz and published by . This book was released on 2014-10-28 with total page 366 pages. Available in PDF, EPUB and Kindle. Book excerpt: Smart leaders know that they would greatly increase productivity and innovation if only they could get everyone fully engaged. So do professors, facilitators and all changemakers. The challenge is how. Liberating Structures are novel, practical and no-nonsense methods to help you accomplish this goal with groups of any size. Prepare to be surprised by how simple and easy they are for anyone to use. This book shows you how with detailed descriptions for putting them into practice plus tips on how to get started and traps to avoid. It takes the design and facilitation methods experts use and puts them within reach of anyone in any organization or initiative, from the frontline to the C-suite. Part One: The Hidden Structure of Engagement will ground you with the conceptual framework and vocabulary of Liberating Structures. It contrasts Liberating Structures with conventional methods and shows the benefits of using them to transform the way people collaborate, learn, and discover solutions together. Part Two: Getting Started and Beyond offers guidelines for experimenting in a wide range of applications from small group interactions to system-wide initiatives: meetings, projects, problem solving, change initiatives, product launches, strategy development, etc. Part Three: Stories from the Field illustrates the endless possibilities Liberating Structures offer with stories from users around the world, in all types of organizations -- from healthcare to academic to military to global business enterprises, from judicial and legislative environments to R&D. Part Four: The Field Guide for Including, Engaging, and Unleashing Everyone describes how to use each of the 33 Liberating Structures with step-by-step explanations of what to do and what to expect. Discover today what Liberating Structures can do for you, without expensive investments, complicated training, or difficult restructuring. Liberate everyone's contributions -- all it takes is the determination to experiment.
Book Synopsis Computational Methods for Protein Structure Prediction and Modeling by : Ying Xu
Download or read book Computational Methods for Protein Structure Prediction and Modeling written by Ying Xu and published by Springer Science & Business Media. This book was released on 2007-08-24 with total page 408 pages. Available in PDF, EPUB and Kindle. Book excerpt: Volume One of this two-volume sequence focuses on the basic characterization of known protein structures, and structure prediction from protein sequence information. Eleven chapters survey of the field, covering key topics in modeling, force fields, classification, computational methods, and structure prediction. Each chapter is a self contained review covering definition of the problem and historical perspective; mathematical formulation; computational methods and algorithms; performance results; existing software; strengths, pitfalls, challenges, and future research.
Book Synopsis Computational Methods to Study the Structure and Dynamics of Biomolecules and Biomolecular Processes by : Adam Liwo
Download or read book Computational Methods to Study the Structure and Dynamics of Biomolecules and Biomolecular Processes written by Adam Liwo and published by Springer. This book was released on 2018-12-19 with total page 849 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides a comprehensive overview of modern computer-based techniques for analyzing the structure, properties and dynamics of biomolecules and biomolecular processes. It is organized in four main parts; the first one deals with methodology of molecular simulations; the second one with applications of molecular simulations; the third one introduces bioinformatics methods and the use of experimental information in molecular simulations; the last part reports on selected applications of molecular quantum mechanics. This second edition has been thoroughly revised and updated to include the latest progresses made in the respective field of research.
Book Synopsis Molecular Structure by Diffraction Methods by : G A Sim
Download or read book Molecular Structure by Diffraction Methods written by G A Sim and published by Royal Society of Chemistry. This book was released on 2007-10-31 with total page 842 pages. Available in PDF, EPUB and Kindle. Book excerpt: Specialist Periodical Reports provide systematic and detailed review coverage of progress in the major areas of chemical research. Written by experts in their specialist fields the series creates a unique service for the active research chemist, supplying regular critical in-depth accounts of progress in particular areas of chemistry. For over 80 years the Royal Society of Chemistry and its predecessor, the Chemical Society, have been publishing reports charting developments in chemistry, which originally took the form of Annual Reports. However, by 1967 the whole spectrum of chemistry could no longer be contained within one volume and the series Specialist Periodical Reports was born. The Annual Reports themselves still existed but were divided into two, and subsequently three, volumes covering Inorganic, Organic and Physical Chemistry. For more general coverage of the highlights in chemistry they remain a 'must'. Since that time the SPR series has altered according to the fluctuating degree of activity in various fields of chemistry. Some titles have remained unchanged, while others have altered their emphasis along with their titles; some have been combined under a new name whereas others have had to be discontinued. The current list of Specialist Periodical Reports can be seen on the inside flap of this volume.
Book Synopsis Advanced Spectroscopic Methods to Study Biomolecular Structure and Dynamics by : Prakash Saudagar
Download or read book Advanced Spectroscopic Methods to Study Biomolecular Structure and Dynamics written by Prakash Saudagar and published by Elsevier. This book was released on 2022-09-28 with total page 560 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advanced Spectroscopic Methods to Study Biomolecular Structure and Dynamics presents the latest emerging technologies in spectroscopy and advances in established spectroscopic methods. The book presents a guide to research methods in biomolecular spectroscopy, providing comprehensive coverage of developments in the spectroscopic techniques used to study protein structure and dynamics. Seventeen chapters from leading researchers cover key aspects of spectroscopic methods, with each chapter covering structure, folding, and dynamics. This title will help researchers keep up-to-date on the latest novel methods and advances in established methods. - Presents current, emerging, and evolving advances and applications of spectroscopic techniques in the study of biomolecules, including proteins and nucleic acids - Discusses contemporary spectroscopic techniques used to study biomolecular structure, interaction, and dynamics
Book Synopsis Computational Methods for Fluid-Structure Interaction by : Jean-Marie Crolet
Download or read book Computational Methods for Fluid-Structure Interaction written by Jean-Marie Crolet and published by CRC Press. This book was released on 1994-04-05 with total page 302 pages. Available in PDF, EPUB and Kindle. Book excerpt: Fluid-structure interaction is a new theme of investigation in computational methods, covering many applications in both engineering and medical sciences. This book deals with various examples of interaction between a fluid and a structure, and each author presents, for the different problems involved, the method which is considered to be the most appropriate.
Book Synopsis Drug-like Properties: Concepts, Structure Design and Methods by : Li Di
Download or read book Drug-like Properties: Concepts, Structure Design and Methods written by Li Di and published by Elsevier. This book was released on 2010-07-26 with total page 549 pages. Available in PDF, EPUB and Kindle. Book excerpt: Of the thousands of novel compounds that a drug discovery project team invents and that bind to the therapeutic target, typically only a fraction of these have sufficient ADME/Tox properties to become a drug product. Understanding ADME/Tox is critical for all drug researchers, owing to its increasing importance in advancing high quality candidates to clinical studies and the processes of drug discovery. If the properties are weak, the candidate will have a high risk of failure or be less desirable as a drug product. This book is a tool and resource for scientists engaged in, or preparing for, the selection and optimization process. The authors describe how properties affect in vivo pharmacological activity and impact in vitro assays. Individual drug-like properties are discussed from a practical point of view, such as solubility, permeability and metabolic stability, with regard to fundamental understanding, applications of property data in drug discovery and examples of structural modifications that have achieved improved property performance. The authors also review various methods for the screening (high throughput), diagnosis (medium throughput) and in-depth (low throughput) analysis of drug properties. - Serves as an essential working handbook aimed at scientists and students in medicinal chemistry - Provides practical, step-by-step guidance on property fundamentals, effects, structure-property relationships, and structure modification strategies - Discusses improvements in pharmacokinetics from a practical chemist's standpoint
Book Synopsis Methods in Protein Structure and Stability Analysis: Vibrational spectroscopy by : Vladimir N. Uversky
Download or read book Methods in Protein Structure and Stability Analysis: Vibrational spectroscopy written by Vladimir N. Uversky and published by Nova Publishers. This book was released on 2007 with total page 326 pages. Available in PDF, EPUB and Kindle. Book excerpt: Protein research is a frontier field in science. Proteins are widely distributed in plants and animals and are the principal constituents of the protoplasm of all cells, and consist essentially of combinations of a-amino acids in peptide linkages. Twenty different amino acids are commonly found in proteins, and serve as enzymes, structural elements, hormones, immunoglobulins, etc., and are involved throughout the body, and in photosynthesis. This book gathers new leading-edge research from throughout the world in this exciting and exploding field of research.
Book Synopsis Optimizing NMR Methods for Structure Elucidation by : Darcy C. Burns
Download or read book Optimizing NMR Methods for Structure Elucidation written by Darcy C. Burns and published by Royal Society of Chemistry. This book was released on 2018-09-26 with total page 254 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is aimed at informing organic chemists and natural products chemists on the use of NMR for structure elucidation to enable them to ensure they yield the most reliable possible data in the minimum possible time. It covers the latest pulse sequences, acquisition and processing methods, practical areas not covered in most texts e.g. detailed consideration of the relative advantages and disadvantages of different pulse sequences, choosing acquisition and processing parameters to get the best possible data in the least possible time, pitfalls to avoid and how to minimize the risks of getting wrong structures. Useful in industrial, pharma or research environments, this reference book is for anyone involved with organic chemistry research and, in particular, natural products research requiring advice for getting the best results from the NMR facilities.
Book Synopsis Feature Representation and Learning Methods With Applications in Protein Secondary Structure by : Zhibin Lv
Download or read book Feature Representation and Learning Methods With Applications in Protein Secondary Structure written by Zhibin Lv and published by Frontiers Media SA. This book was released on 2021-10-25 with total page 112 pages. Available in PDF, EPUB and Kindle. Book excerpt:
