Complementary Bonding Analysis
Complementary Bonding Analysis

Author: Simon Grabowsky

Publisher: Walter de Gruyter GmbH & Co KG

Published: 2021-04-06

Total Pages: 402

ISBN-13: 3110660075

DOWNLOAD EBOOK

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.

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

Author:

Publisher: Walter de Gruyter GmbH & Co KG

Published: 2020-02-24

Total Pages: 409

ISBN-13: 3110692880

DOWNLOAD EBOOK

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.

Chemical Bonding
Chemical Bonding

Author: Richard Dronskowski

Publisher: Walter de Gruyter GmbH & Co KG

Published: 2023-10-04

Total Pages: 186

ISBN-13: 3111167216

DOWNLOAD EBOOK

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

Modern Charge-Density Analysis
Modern Charge-Density Analysis

Author: Carlo Gatti

Publisher: Springer Science & Business Media

Published: 2012-01-09

Total Pages: 800

ISBN-13: 9048138361

DOWNLOAD EBOOK

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.

X-Ray Structure Analysis
X-Ray Structure Analysis

Author: Theo Siegrist

Publisher: Walter de Gruyter GmbH & Co KG

Published: 2021-11-22

Total Pages: 250

ISBN-13: 3110610833

DOWNLOAD EBOOK

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.

Complementary Bonding Analysis
Complementary Bonding Analysis

Author: Simon Grabowsky

Publisher: Walter de Gruyter GmbH & Co KG

Published: 2021-04-06

Total Pages: 412

ISBN-13: 311066027X

DOWNLOAD EBOOK

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.

Advances in Organometallic Chemistry
Advances in Organometallic Chemistry

Author:

Publisher: Elsevier

Published: 2024-05-24

Total Pages: 400

ISBN-13: 0443294216

DOWNLOAD EBOOK

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

Hydrogen Bonded Supramolecular Structures
Hydrogen Bonded Supramolecular Structures

Author: Zhan-Ting Li

Publisher: Springer

Published: 2015-01-12

Total Pages: 357

ISBN-13: 3662457563

DOWNLOAD EBOOK

This book covers the advances in the studies of hydrogen-bonding-driven supramolecular systems made over the past decade. It is divided into four parts, with the first introducing the basics of hydrogen bonding and important hydrogen bonding patterns in solution as well as in the solid state. The second part covers molecular recognition and supramolecular structures driven by hydrogen bonding. The third part introduces the formation of hollow and giant macrocycles directed by hydrogen bonding, while the last part summarizes hydrogen bonded supramolecular polymers. This book is designed to bring together in a single volume the many important aspects of hydrogen bonding supramolecular chemistry and will be a valuable resource for graduates and researchers working in supramolecular and related sciences. Zhan-Ting Li, PhD, is a Professor of Organic Chemistry at the Department of Chemistry, Fudan University, China. Li-Zhu Wu, PhD, is a Professor of Organic Chemistry at the Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, China.