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Complementary Bonding Analysis


Complementary Bonding Analysis
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Complementary Bonding Analysis


Complementary Bonding Analysis
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Author : Simon Grabowsky
language : en
Publisher: Walter de Gruyter GmbH & Co KG
Release Date : 2021-04-06

Complementary Bonding Analysis written by Simon Grabowsky and has been published by Walter de Gruyter GmbH & Co KG this book supported file pdf, txt, epub, kindle and other format this book has been release on 2021-04-06 with Science categories.


As chemical bonds are not observable, there are various theories and models for their description. This book presents a selection of conceptually very different and historically competing views on chemical bonding analysis from quantum chemistry and quantum crystallography. It not only explains the principles and theories behind the methods, but also provides practical examples of how to derive bonding descriptors with modern software and of how to interpret them.



Modern Charge Density Analysis


Modern Charge Density Analysis
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Author : Carlo Gatti
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-01-09

Modern Charge Density Analysis written by Carlo Gatti 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 2012-01-09 with Science categories.


Modern Charge-Density Analysis focuses on state-of-the-art methods and applications of electron-density analysis. It is a field traditionally associated with understanding chemical bonding and the electrostatic properties of matter. Recently, it has also been related to predictions of properties and responses of materials (having an organic, inorganic or hybrid nature as in modern materials and bio-science, and used for functional devices or biomaterials). Modern Charge-Density Analysis is inherently multidisciplinary and written for chemists, physicists, crystallographers, material scientists, and biochemists alike. It serves as a useful tool for scientists already working in the field by providing them with a unified view of the multifaceted charge-density world. Additionally, this volume facilitates the understanding of scientists and PhD students planning to enter the field by acquainting them with the most significant and promising developments in this arena.



Chemical Bonding


Chemical Bonding
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Author : Richard Dronskowski
language : en
Publisher: Walter de Gruyter GmbH & Co KG
Release Date : 2023-10-04

Chemical Bonding written by Richard Dronskowski and has been published by Walter de Gruyter GmbH & Co KG this book supported file pdf, txt, epub, kindle and other format this book has been release on 2023-10-04 with Science categories.


Modern DFT simulations of solids and molecules are typically based on the mighty plane-wave pseudopotential combination. Despite being numerically efficient, it does not allow for chemical conclusions unless the electronic structure is unitarily transformed into atomic orbitals. This primer for chemists and as well for physicists and engineers shows how to simply extract the chemistry and, hence, truly understand a plethora of real-world materials The goal of this humorous primer entertaining to read is to truly serve but not repel the reader. Recent in-person and also virtual summer schools in Europe and Asia have demonstrated the need for such a primer, also to be used for self-training



Joint Polish German Crystallographic Meeting February 24 27 2020 Wroc Aw Poland


Joint Polish German Crystallographic Meeting February 24 27 2020 Wroc Aw Poland
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Author :
language : en
Publisher: Walter de Gruyter GmbH & Co KG
Release Date : 2020-02-24

Joint Polish German Crystallographic Meeting February 24 27 2020 Wroc Aw Poland written by and has been published by Walter de Gruyter GmbH & Co KG this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-02-24 with Science categories.


Zeitschrift für Kristallographie. Supplement Volume 40 presents the complete Abstracts of all contributions to the Joint Polish-German Crystallographic Meeting in Wroclaw (Poland) 2020: - Plenary Talks - Microsymposia - Poster Session Supplement Series of Zeitschrift für Kristallographie publishes Abstracts of international conferences on the interdisciplinary field of crystallography.



Solid State Chemistry


Solid State Chemistry
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Author : Frank Hoffmann
language : en
Publisher: Walter de Gruyter GmbH & Co KG
Release Date : 2023-08-07

Solid State Chemistry written by Frank Hoffmann and has been published by Walter de Gruyter GmbH & Co KG this book supported file pdf, txt, epub, kindle and other format this book has been release on 2023-08-07 with Science categories.


This book invites you on a tour through the most relevant topics of solid-state chemistry. It provides an up-to-date overview about fascinating structures of inorganic matter and new research developments. The reader will also gain crucial insights into many aspects of material science, from ceramics to superconductors. One chapter is specifically dedicated to the most rapidly evolving field of material science: metal-organic frameworks (MOFs). The book contains a chapter which is often neglected in others due to its complexity, the intermetallic phases. A concise but very didactic introduction to crystallographic specifications ensures that the reader will gain a deeper understanding of the crystal structures presented in the book. The book places special emphasis on the graphical illustrations which were specifically designed to promote real insights into the structural features. Instead of having to decipher hard to distinguish graphics the reader has an eye-opening experience. A further added value is that many references to the original research publications are given which enables easy follow-up for more detailed study.



Military Law Review


Military Law Review
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Author :
language : en
Publisher:
Release Date : 1994

Military Law Review written by and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1994 with Courts-martial and courts of inquiry categories.




Advances In Quantum Chemical Topology Beyond Qtaim


Advances In Quantum Chemical Topology Beyond Qtaim
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Author : Juan I. Rodriguez
language : en
Publisher: Elsevier
Release Date : 2022-12-06

Advances In Quantum Chemical Topology Beyond Qtaim written by Juan I. Rodriguez and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2022-12-06 with Science categories.


Advances in Quantum Chemical Topology Beyond QTAIM provides a complete overview of the field, starting with traditional methods and then covering key steps to the latest state-of-the-art extensions of QTAIM. The book supports researchers by compiling and reviewing key methods, comparing different algorithms, and providing computational results to show the efficacy of the approaches. Beginning with an introduction to quantum chemistry, QTAIM and key extensions, the book goes on to discuss interacting quantum atoms and related energy properties, explores partitioning methods, and compares algorithms for QTAIM. Partitioning schemes are them compared in more detail before applications are explored and future developments discussed. Drawing together the knowledge of key authorities in the area, this book provides a comprehensive, pedogeological guide to this insightful theory for all those interested in modelling, exploring and understanding molecular properties. - Provides a contemporary review of the extensions and application of QTAIM methods - Compiles all extensions of QTAIM in one place for easy reference - Includes a chapter with an Introduction to Quantum Chemistry - Presents complex information at a level accessible to those engaged in theoretical/computational chemistry



Handbook Of Surface And Interface Analysis


Handbook Of Surface And Interface Analysis
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Author : John C. Riviere
language : en
Publisher: CRC Press
Release Date : 1998-01-27

Handbook Of Surface And Interface Analysis written by John C. Riviere and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 1998-01-27 with Science categories.


Integrating advances in instrumentation and methods, this work offers an approach to solving problems in surface and interface analysis, beginning with a particular problem and then explaining the most rational and efficient route to a solution. The book discusses electron optical and scanned probe microscopy, high spatial resolution imaging and synchrotron-based techniques. It emphasizes problem-solving for different classes of materials and material function.



Innovations In Automotive And Aerospace Assembly


Innovations In Automotive And Aerospace Assembly
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Author : George Nicholas Bullen
language : en
Publisher: SAE International
Release Date : 2018-03-23

Innovations In Automotive And Aerospace Assembly written by George Nicholas Bullen and has been published by SAE International this book supported file pdf, txt, epub, kindle and other format this book has been release on 2018-03-23 with Technology & Engineering categories.


Up until the last two decades, aluminum in airplanes and steel in automobiles were the primary materials used to produce these two complex machines. These metal-to-metal assemblies, and specifically the same-type metal-to-metal assemblies, have resulted in distinct manufacturing process advantages over decades of production. However, advances in material types have driven manufacturing to adapt and align the fabrication and assembly processes to continue to facilitate a quality product that is reliable, can be manufactured at a price point that is affordable and be manufactured in quantities that can be widely distributed. Dissimilar metal and composite material assemblies are now requiring highly complex manufacturing processes. Innovations in Automotive and Aerospace Assembly addresses how these new, disruptive materials usage are changing the manufacturing and production processes for the transportation industries. Highlights and features in the book include: Non-contact laser technology's transition into aerospace use Emerging thickness and hole measurement gauge technologies Non-destructive adhesive inspection techniques The goal is to provide the latest technologies and methodologies being introduced into automobile and aerospace manufacturing - appealing to materials, manufacturing and design engineers alike.



Perspectives In Electronic Structure Theory


Perspectives In Electronic Structure Theory
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Author : Roman F. Nalewajski
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-03-23

Perspectives In Electronic Structure Theory written by Roman F. Nalewajski 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 2012-03-23 with Science categories.


The understanding in science implies insights from several different points of view. Alternative modern outlooks on electronic structure of atoms and molecules, all rooted in quantum mechanics, are presented in a single text. Together these complementary perspectives provide a deeper understanding of the localization of electrons and bonds, the origins of chemical interaction and reactivity behavior, the interaction between the geometric and electronic structure of molecules, etc. In the opening two parts the basic principles and techniques of the contemporary computational and conceptual quantum chemistry are presented, within both the wave-function and electron-density theories. This background material is followed by a discussion of chemical concepts, including stages of the bond-formation processes, chemical valence and bond-multiplicity indices, the hardness/softness descriptors of molecules and reactants, and general chemical reactivity/stability principles. The insights from Information Theory, the basic elements of which are briefly introduced, including the entropic origins and Orbital Communication Theory of the chemical bond, are the subject of Part IV. The importance of the non-additive (interference) information tools in exploring patterns of chemical bonds and their covalent and ionic components will be emphasized.