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Author: Piero Macchi
Publisher: Springer Nature
ISBN: 3030956415
Category : Science
Languages : en
Pages : 98
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Book Description
This book explores the potential of quantum crystallography. The field accompanied the major milestones of x-ray diffraction and it has undergone a rapid evolution in the past few years. For this reason, some reflections are necessary in order to scrutinize the next steps and anticipate the future developments. After a short survey of the historical background and in depth description of the state of the art, some examples are provided of current and future applications of the know-how in this discipline. This implies attracting readership of both experts in the field and neophytes. The former will test their own views with the one exposed in the book; the newcomers, instead, will learn both what has been done and what could be done with quantum crystallography.
Author: Piero Macchi
Publisher: Springer Nature
ISBN: 3030956415
Category : Science
Languages : en
Pages : 98
Get Book Here
Book Description
This book explores the potential of quantum crystallography. The field accompanied the major milestones of x-ray diffraction and it has undergone a rapid evolution in the past few years. For this reason, some reflections are necessary in order to scrutinize the next steps and anticipate the future developments. After a short survey of the historical background and in depth description of the state of the art, some examples are provided of current and future applications of the know-how in this discipline. This implies attracting readership of both experts in the field and neophytes. The former will test their own views with the one exposed in the book; the newcomers, instead, will learn both what has been done and what could be done with quantum crystallography.
Author: Chérif Matta
Publisher: Walter de Gruyter GmbH & Co KG
ISBN: 3110565714
Category : Science
Languages : en
Pages : 265
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Book Description
Quantum crystallography (QCr) is a novel scientific discipline combining quantum chemistry methods and crystal structure determination. Written by leading experts in the field, this book describes original quantum-mechanical approaches to obtain crystallographic data of enhanced value and explains how they correlate with real diffraction and scattering experiments. In particular, the book covers quantum N-representability, Clinton equations, kernel energy method (KEM), and quantum theory of atoms in molecules (QTAIM) methods and their applications in crystallographic studies. Readers will be interested in the Foreword written by Nobel Laureate Ada Yonath and the Epilogue by noted science philosopher Olimpia Lombardi.
Author: Chérif Matta
Publisher: Walter de Gruyter GmbH & Co KG
ISBN: 3110566672
Category : Science
Languages : en
Pages : 216
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Book Description
Quantum Crystallography is a novel scientific discipline combining quantum chemistry methods and crystal structure determination. The current book describes quantum-mechanical approaches to obtain crystallographic data of enhanced value and explains how they correlate with real diffraction and scattering experiments. In particular, the book covers DFT, Clinton equations, KEM and QTAIM methods and their applications in crystallographic studies.
Author: Chérif F. Matta
Publisher: de Gruyter
ISBN: 9783110565669
Category : Science
Languages : en
Pages : 0
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Book Description
Quantum Crystallography is a novel scientific discipline combining quantum chemistry methods and crystal structure determination. The current book describes quantum-mechanical approaches to obtain crystallographic data of enhanced value and explains how they correlate with real diffraction and scattering experiments. In particular, the book covers DFT, Clinton equations, KEM and QTAIM methods and their applications in crystallographic studies.
Author: Piero Macchi
Publisher: de Gruyter
ISBN: 9783110607109
Category : Science
Languages : en
Pages : 220
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Book Description
Quantum Crystallography, stimulated by the increased power of experimental techniques and new ways of modelling electron density functions, is described by emphasizing the close connection between Quantum Mechanics and Crystallography. Providing the theoretical background the author reviews experimental methods for obtaining charge and spin electron densities and refining wave functions. Exercises and examples support the thorough understanding.
Author: Arnaud J. A. Soirat
Publisher:
ISBN:
Category : Density matrices
Languages : en
Pages : 502
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Book Description
Author: Frank Hoffmann
Publisher: Springer Nature
ISBN: 3030351106
Category : Science
Languages : en
Pages : 309
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Book Description
This book invites you on a systematic tour through the fascinating world of crystals and their symmetries. The reader will gain an understanding of the symmetry of external crystal forms (morphology) and become acquainted with all the symmetry elements needed to classify and describe crystal structures. The book explains the context in a very vivid, non-mathematical way and captivates with clear, high-quality illustrations. Online materials accompany the book; including 3D models the reader can explore on screen to aid in the spatial understanding of the structure of crystals. After reading the book, you will not only know what a space group is and how to read the International Tables for Crystallography, but will also be able to interpret crystallographic specifications in specialist publications. If questions remain, you also have the opportunity to ask the author on the book's website.
Author: Errol G. Lewars
Publisher: Springer Science & Business Media
ISBN: 0306483912
Category : Science
Languages : en
Pages : 474
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Book Description
Computational chemistry has become extremely important in the last decade, being widely used in academic and industrial research. Yet there have been few books designed to teach the subject to nonspecialists. Computational Chemistry: Introduction to the Theory and Applications of Molecular and Quantum Mechanics is an invaluable tool for teaching and researchers alike. The book provides an overview of the field, explains the basic underlying theory at a meaningful level that is not beyond beginners, and it gives numerous comparisons of different methods with one another and with experiment. The following concepts are illustrated and their possibilities and limitations are given: - potential energy surfaces; - simple and extended Hückel methods; - ab initio, AM1 and related semiempirical methods; - density functional theory (DFT). Topics are placed in a historical context, adding interest to them and removing much of their apparently arbitrary aspect. The large number of references, to all significant topics mentioned, should make this book useful not only to undergraduates but also to graduate students and academic and industrial researchers.
Author: Bruno Latour
Publisher: Princeton University Press
ISBN: 1400820413
Category : Social Science
Languages : en
Pages : 295
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Book Description
This highly original work presents laboratory science in a deliberately skeptical way: as an anthropological approach to the culture of the scientist. Drawing on recent work in literary criticism, the authors study how the social world of the laboratory produces papers and other "texts,"' and how the scientific vision of reality becomes that set of statements considered, for the time being, too expensive to change. The book is based on field work done by Bruno Latour in Roger Guillemin's laboratory at the Salk Institute and provides an important link between the sociology of modern sciences and laboratory studies in the history of science.
Author: Patricia Aufderheide
Publisher: Oxford University Press
ISBN: 0199720398
Category : Performing Arts
Languages : en
Pages : 177
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Book Description
Documentary film can encompass anything from Robert Flaherty's pioneering ethnography Nanook of the North to Michael Moore's anti-Iraq War polemic Fahrenheit 9/11, from Dziga Vertov's artful Soviet propaganda piece Man with a Movie Camera to Luc Jacquet's heart-tugging wildlife epic March of the Penguins. In this concise, crisply written guide, Patricia Aufderheide takes readers along the diverse paths of documentary history and charts the lively, often fierce debates among filmmakers and scholars about the best ways to represent reality and to tell the truths worth telling. Beginning with an overview of the central issues of documentary filmmaking--its definitions and purposes, its forms and founders--Aufderheide focuses on several of its key subgenres, including public affairs films, government propaganda (particularly the works produced during World War II), historical documentaries, and nature films. Her thematic approach allows readers to enter the subject matter through the kinds of films that first attracted them to documentaries, and it permits her to make connections between eras, as well as revealing the ongoing nature of documentary's core controversies involving objectivity, advocacy, and bias. Interwoven throughout are discussions of the ethical and practical considerations that arise with every aspect of documentary production. A particularly useful feature of the book is an appended list of "100 great documentaries" that anyone with a serious interest in the genre should see. Drawing on the author's four decades of experience as a film scholar and critic, this book is the perfect introduction not just for teachers and students but also for all thoughtful filmgoers and for those who aspire to make documentaries themselves. About the Series: Combining authority with wit, accessibility, and style, Very Short Introductions offer an introduction to some of life's most interesting topics. Written by experts for the newcomer, they demonstrate the finest contemporary thinking about the central problems and issues in hundreds of key topics, from philosophy to Freud, quantum theory to Islam.
