Complementary Bonding Analysis

Author : Simon Grabowsky
Publisher : Walter de Gruyter GmbH & Co KG
Page : 402 pages
File Size : 43,5 Mb
Release : 2021-04-06
Category : Science
ISBN : 9783110660074

Get Book

Complementary Bonding Analysis by Simon Grabowsky Pdf

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.

Author : Anonim
Publisher : Walter de Gruyter GmbH & Co KG
Page : 409 pages
File Size : 41,7 Mb
Release : 2020-02-24
Category : Science
ISBN : 9783110692884

Get Book

Joint Polish-German Crystallographic Meeting, February 24–27, 2020, Wrocław, Poland by Anonim Pdf

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.

Author : Richard Dronskowski
Publisher : Walter de Gruyter GmbH & Co KG
Page : 186 pages
File Size : 50,8 Mb
Release : 2023-10-04
Category : Science
ISBN : 9783111167213

Get Book

Chemical Bonding by Richard Dronskowski Pdf

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

Author : Carlo Gatti,Piero Macchi
Publisher : Springer Science & Business Media
Page : 800 pages
File Size : 54,5 Mb
Release : 2012-01-09
Category : Science
ISBN : 9789048138364

Get Book

Modern Charge-Density Analysis by Carlo Gatti,Piero Macchi Pdf

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.

Author : Theo Siegrist
Publisher : Walter de Gruyter GmbH & Co KG
Page : 250 pages
File Size : 50,9 Mb
Release : 2021-11-22
Category : Technology & Engineering
ISBN : 9783110610833

Get Book

X-Ray Structure Analysis by Theo Siegrist Pdf

This book offers a compact overview on crystallography, symmetry, and applications of symmetry concepts. The author explains the theory behind scattering and diffraction of electromagnetic radiation. X-ray diffraction on single crystals as well as quantitative evaluation of powder patterns are discussed.

Author : Juan I. Rodriguez,Fernando Cortés-Guzmán,James S.M. Anderson
Publisher : Elsevier
Page : 570 pages
File Size : 46,5 Mb
Release : 2022-12-06
Category : Science
ISBN : 9780323908924

Get Book

Advances in Quantum Chemical Topology Beyond QTAIM by Juan I. Rodriguez,Fernando Cortés-Guzmán,James S.M. Anderson Pdf

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

Author : Anonim
Publisher : Unknown
Page : 532 pages
File Size : 40,5 Mb
Release : 1994
Category : Courts-martial and courts of inquiry
ISBN : PSU:000072977958

Get Book

Military Law Review by Anonim Pdf

Author : Bruce Alberts
Publisher : Unknown
Page : 0 pages
File Size : 53,8 Mb
Release : 2002
Category : Cytology
ISBN : 0815332181

Get Book

Molecular Biology of The Cell by Bruce Alberts Pdf

Author : George Nicholas Bullen
Publisher : SAE International
Page : 206 pages
File Size : 49,8 Mb
Release : 2018-03-23
Category : Technology & Engineering
ISBN : 9780768084665

Get Book

Innovations in Automotive and Aerospace Assembly by George Nicholas Bullen Pdf

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.

Author : Anonim
Publisher : Elsevier
Page : 400 pages
File Size : 48,6 Mb
Release : 2024-05-24
Category : Science
ISBN : 9780443294211

Get Book

Advances in Organometallic Chemistry by Anonim Pdf

Advances in Organometallic Chemistry, Volume 81 in this ongoing series, highlights new advances in the field, with this new volume presenting interesting chapters written by an international board of authors. Specific chapters cover Recent Advances in the Catalytic Applications of NHC-Early Abundant Metals (Fe, Mn, Co) Complexes, A Guide to Non-Carbonyl, Non-Isocyano Organometallic Chemistry of Technetium-99 from Discovery to 2023, and Cyclopentadienyl, Amidinate (CPAM) Complexes of Groups 4 - 6 Transition Metals. Provides the latest information on cancer research Offers outstanding and original reviews on a range of cancer research topics Serves as an indispensable reference for researchers and students alike

Author : Roman F. Nalewajski
Publisher : Springer Science & Business Media
Page : 727 pages
File Size : 51,9 Mb
Release : 2012-03-23
Category : Science
ISBN : 9783642201806

Get Book

Perspectives in Electronic Structure Theory by Roman F. Nalewajski Pdf

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.

Author : John C. Riviere,Sverre Myhra
Publisher : CRC Press
Page : 1006 pages
File Size : 54,9 Mb
Release : 1998-01-27
Category : Science
ISBN : 0824700805

Get Book

Handbook of Surface and Interface Analysis by John C. Riviere,Sverre Myhra Pdf

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.

Author : Robert B. Sim
Publisher : Springer Science & Business Media
Page : 243 pages
File Size : 42,7 Mb
Release : 2012-12-06
Category : Medical
ISBN : 9789401127578

Get Book

Activators and Inhibitors of Complement by Robert B. Sim Pdf

The complement system is a group of proteins which plays a major role in the processing and removal of microorganisms and tissue breakdown products from the circulation and extracellular spaces. The system is activated by a wide range of targets, and activation leads to the production of opsonins, chemotaxis of granulocytes, cell lysis and other biological activities. Inappropriate overactivation of the system contributes to inflammatory tissue damage in the host, while inadequate activation leads to accumulation of immune complexes and other debris in the circulation, and susceptibility to infection. The biology and biochemistry of the system is now adequately understood, and attempts can be made to manipulate the activation and activities of the system for potential therapeutic purposes. The reviews in this volume summarise what is known of the ways in which the complement system can be activated, by interaction with antibodies, microorganisms, cell debris, and complex carbohydrates and how the activities and activation of the system have been modified, accidentally or by design, in vitro or in vivo by drugs, venoms, particulate carbohydrates, specific antibodies, synthetic peptides and other reagents.

Author : Rose E Constantino,Patricia A Crane,Susan E Young
Publisher : F.A. Davis
Page : 448 pages
File Size : 51,6 Mb
Release : 2012-12-18
Category : Medical
ISBN : 9780803639126

Get Book

Forensic Nursing by Rose E Constantino,Patricia A Crane,Susan E Young Pdf

Explore the role of the forensic nurse in both the health care and criminal justice systems with this text written by experts in the field with contributions from well-known specialists. Inside you’ll find an overview of the forensic nursing field as well as crucial coverage on specific issues of evidence collection, prison health care, human trafficking, sexual abuse, and domestic violence. Step-by-step, you will build a solid foundation in forensic nursing practice by developing competencies in deductive analysis, critical thinking, evaluation, application, and communication.

Author : Pierangelo Metrangolo,Giuseppe Resnati
Publisher : Springer
Page : 286 pages
File Size : 42,5 Mb
Release : 2015-02-20
Category : Science
ISBN : 9783319140575

Get Book

Halogen Bonding I by Pierangelo Metrangolo,Giuseppe Resnati Pdf

The nature and directionality of halogen bonding; the sigma hole, by Timothy Clark, Peter Politzer, Jane S. Murray Solid-state NMR study of halogen-bonded adducts, by David Bryce Infrared and Raman measurements of halogen bonding in cryogenic solutions, by Wouter Herrebout Halogen bonding in the gas phase, by Anthony C. Legon Halogen bonding in solution, Mate Erdelyi Unconventional motifs for halogen bonding, by Kari Rissanen Halogen bonding in supramolecular synthesis, Christer Aakeröy Halogen bond in synthetic organic chemistry, Stefan M. Huber Anion recognition in solution via halogen bonding, Mark S. Taylor Anion transport with halogen bonds, by Stefan Matile Halogen bonding in silico drug design, by Pavel Hobza, Kevin Riley Biological halogen bonds: An old dog with new tricks, by P. Shing Ho Principles and applications of halogen bonding in medicinal chemistry, by Frank M. Boeckler Halogen bond in molecular conductors and magnets, by Marc Foumigué Halogen bonding towards design of organic phosphors, by Wei Jun Jin Halogen bond in photoresponsive materials, by Pierangelo Metrangolo, Giuseppe Resnati, Arri Priimagi