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Topological Approaches to the Chemical Bond, Mart?n Pend?s


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Автор: Mart?n Pend?s
Название:  Topological Approaches to the Chemical Bond
ISBN: 9783031136658
Издательство: Springer
Классификация:


ISBN-10: 3031136659
Обложка/Формат: Hardback
Страницы: 407
Вес: 0.89 кг.
Дата издания: 09.03.2023
Серия: Theoretical Chemistry and Computational Modelling
Язык: English
Издание: 1st ed. 2023
Иллюстрации: 30 tables, color; 141 illustrations, color; 32 illustrations, black and white; xxii, 407 p. 173 illus., 141 illus. in color.
Размер: 235 x 155
Читательская аудитория: Professional & vocational
Основная тема: Chemistry
Ссылка на Издательство: Link
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Поставляется из: Германии
Описание: This graduate textbook provides comprehensive information on topological analysis in real space of the electronic structure. Application of the topological tools is becoming routine for understanding the outcome of quantum chemical calculations. This title thoroughly reviews a selection of currently available topological tools, their use and spectrum of applications and provides graduate students and researchers with information not easily obtained from the available textbooks. The book is accompanied by worked examples, exercises and solutions and is a great tool for any quantum chemistry or computational chemistry course at the graduate and advanced undergraduate levels.
Дополнительное описание: Introduction.- Topological spaces.- Part I Descriptors.- The electron density.- Electron pairing descriptors.- Weak interactions.- Part II Applications.- Molecules.- Solid state.- Part III Exercises.- Algorithms & software.- Exercises.- Solutions.



Detoxification of Chemical Warfare Agents

Автор: Dimitrios A. Giannakoudakis; Teresa J. Bandosz
Название: Detoxification of Chemical Warfare Agents
ISBN: 3319707590 ISBN-13(EAN): 9783319707594
Издательство: Springer
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Цена: 18167.00 р.
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Описание: This book presents a detailed history of chemical warfare development during the First World War and discusses design approaches to gas masks and the performance of new filter materials that decontaminate chemical warfare agents (CWA) when applied in the vapor phase. It describes multifunctional nanocomposites containing zinc and zirconium (hydr)oxides, graphite oxide and silver or gold nanoparticles as reactive adsorbents for the degradation of the CWAs vapors. In addition it examines in detail the surface properties that are most important in the mineralization performance.  

Detoxification of Chemical Warfare Agents

Автор: Dimitrios A. Giannakoudakis; Teresa J. Bandosz
Название: Detoxification of Chemical Warfare Agents
ISBN: 3319889885 ISBN-13(EAN): 9783319889887
Издательство: Springer
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Цена: 19564.00 р.
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Описание: This book presents a detailed history of chemical warfare development during the First World War and discusses design approaches to gas masks and the performance of new filter materials that decontaminate chemical warfare agents (CWA) when applied in the vapor phase. It describes multifunctional nanocomposites containing zinc and zirconium (hydr)oxides, graphite oxide and silver or gold nanoparticles as reactive adsorbents for the degradation of the CWAs vapors. In addition it examines in detail the surface properties that are most important in the mineralization performance.  

Geophysical Applications of Artificial Neural Networks and Fuzzy Logic

Автор: Aminzadeh Fred, Sandham W., Leggett M.
Название: Geophysical Applications of Artificial Neural Networks and Fuzzy Logic
ISBN: 1402017294 ISBN-13(EAN): 9781402017292
Издательство: Springer
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Цена: 18167.00 р.
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Описание: This book is the first major text to encompass the wide diversity of geophysical applications of artificial neural networks (ANNs) and fuzzy logic (FZ). Each chapter, written by internationally-renowned experts in their field, represents a specific geophysical application, ranging from first-break picking and trace editing encountered in seismic exploration, through well-log lithology determination, to electromagnetic exploration and earthquake seismology. The book offers a well-balanced division of contributions from industry and academia, and includes a comprehensive, up-to-date bibliography covering all major publications in geophysical applications of ANNs and FZ. A special feature of this volume is the preface written by Professor Fred Aminzadeh, eminent authority in the field of artificial intelligence and geophysics. The enclosed CD-ROM contains full colour figures and searchable files, as well as short biographies of the editors.

Quantum Chemistry Approaches to Chemisorption and Heterogeneous Catalysis

Автор: F. Ruette
Название: Quantum Chemistry Approaches to Chemisorption and Heterogeneous Catalysis
ISBN: 079231543X ISBN-13(EAN): 9780792315438
Издательство: Springer
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Цена: 32144.00 р.
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Описание: In this book, a unified survey of the most important methods in theoretical chemistry applied to reactions and processes that occur on transition metal surfaces is presented together with a discussion of their advantages and limitations.

Graph Theoretical Approaches to Chemical Reactivity

Автор: Danail D. Bonchev; O.G. Mekenyan
Название: Graph Theoretical Approaches to Chemical Reactivity
ISBN: 079232837X ISBN-13(EAN): 9780792328377
Издательство: Springer
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Цена: 29768.00 р.
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Описание: Concentrates on elucidating chemical reactivity from the viewpoint of molecular topology. This book covers topics such as: the developments in the interplay between graph theory and molecular orbital theory, three dimensional molecular shapes and their changes, and isomerization reactions in organic and inorganic chemistry.

Molecular Similarity and Reactivity

Автор: Ramon Carb?-Dorca
Название: Molecular Similarity and Reactivity
ISBN: 0792333098 ISBN-13(EAN): 9780792333098
Издательство: Springer
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Цена: 30606.00 р.
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Описание: Ultimately, the recognition and analysis of molecular similarities serve as the basis of an understanding of molecular structures and properties, and rep- resent the first steps in the development of theoretical models explaining chemical behavior. Molecular similarity and molecular reactivity are strongly related.

The Reaction Path in Chemistry: Current Approaches and Perspectives

Автор: D. Heidrich
Название: The Reaction Path in Chemistry: Current Approaches and Perspectives
ISBN: 0792335899 ISBN-13(EAN): 9780792335894
Издательство: Springer
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Цена: 26122.00 р.
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Описание: The reaction pathway (RP) technique is a powerful tool in theoretical chemistry and chemical reaction theory. This book discusses the background of the concept, both mathematical and physical, and outlines various developments. It describes different approaches to the RP, with particular emphasis on gradient extremals.

Nuclear and Radiation Chemical Approaches to Fullerene Science

Автор: Tibor Braun
Название: Nuclear and Radiation Chemical Approaches to Fullerene Science
ISBN: 0792365240 ISBN-13(EAN): 9780792365242
Издательство: Springer
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Цена: 23757.00 р.
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Описание: Nuclear irradiation/radiochemical analytical techniques have been applied resulting in information ranging widely from the stability of the fullerene cage containing endohedral metal atoms in various oxidation states to pharmaceutical studies of the distribution of fullerenes in the internal organs of animals.

Nuclear and Radiation Chemical Approaches to Fullerene Science

Автор: Tibor Braun
Название: Nuclear and Radiation Chemical Approaches to Fullerene Science
ISBN: 9048155436 ISBN-13(EAN): 9789048155439
Издательство: Springer
Рейтинг:
Цена: 23757.00 р.
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Описание: Nuclear irradiation/radiochemical analytical techniques have been applied resulting in information ranging widely from the stability of the fullerene cage containing endohedral metal atoms in various oxidation states to pharmaceutical studies of the distribution of fullerenes in the internal organs of animals.

Molecular Similarity and Reactivity

Автор: Ramon Carb?-Dorca
Название: Molecular Similarity and Reactivity
ISBN: 9048145090 ISBN-13(EAN): 9789048145096
Издательство: Springer
Рейтинг:
Цена: 30606.00 р.
Наличие на складе: Есть у поставщика Поставка под заказ.

Описание: Ultimately, the recognition and analysis of molecular similarities serve as the basis of an understanding of molecular structures and properties, and rep- resent the first steps in the development of theoretical models explaining chemical behavior. Molecular similarity and molecular reactivity are strongly related.

The Reaction Path in Chemistry: Current Approaches and Perspectives

Автор: D. Heidrich
Название: The Reaction Path in Chemistry: Current Approaches and Perspectives
ISBN: 9048145864 ISBN-13(EAN): 9789048145867
Издательство: Springer
Рейтинг:
Цена: 26120.00 р.
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Описание: The so-called reaction path (RP) with respect to the potential energy or the Gibbs energy ("free enthalpy") is one of the most fundamental concepts in chemistry.

Polymer Characterization Interdisciplinary Approaches

Автор: Clara D. Craver
Название: Polymer Characterization Interdisciplinary Approaches
ISBN: 1468419315 ISBN-13(EAN): 9781468419313
Издательство: Springer
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Цена: 6986.00 р.
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Описание: Physical and spectroscopic methods have been used jointly for characterization of polymers for at least four decades. The relationship between the chemistry of polymers and performance can be determined from changes in chemical structure and orientation after curing, degradation, or physical or thermal manipulation of the polymers.


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