Introducing the Effective Mass of Activated Complex and the Discussion on the Wave Function of this Instanton
Introducing the Effective Mass of Activated Complex and the Discussion on the Wave Function of this Instanton

Author: Petr Ptáček

Publisher: BoD – Books on Demand

Published: 2018-07-18

Total Pages: 106

ISBN-13: 1789234808

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Heterogeneous kinetics plays an important role in many scientific disciplines and industrial branches such as physical chemistry, materials science, chemical industry, ceramic industry, etc. Although many excellent books on theories and methods can be found, the aim of this book is to provide an unconventional insight into the heterogeneous kinetics and properties of the activated complex. The introduction of the effective mass of this instanton enables to calculate many other properties, such as the most probable speed of activated complex, the momentum, the energetic density, the mass flux, etc., and to define two quantum numbers of activated state, i.e., the activation energy and the momentum. The monograph is organized into three chapters. The first of them deals with a short historical background, which introduces the beginning of chemical kinetics in the historical context. The second chapter is dedicated to the transition state theory, and the third one explains the concept of effective mass and effective rate of activated state as well as other properties of activated complex.

Annual Reports on Computational Chemistry
Annual Reports on Computational Chemistry

Author:

Publisher: Elsevier

Published: 2022-11-05

Total Pages: 216

ISBN-13: 0323990932

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Annual Reports in Computational Chemistry, Volume 18 in this important serial, highlights new advances in the field, with this new volume presenting interesting chapters on a variety of timely topics, including Atomistic modelling of surface plasmon resonances, Recent Advances in Solvation Modelling Applications: Chemical Properties, Reaction Mechanisms and Catalysis, Entropy considerations in catalysis, High level computational chemistry methods, and Computational Organofluorine chemistry. - Provides the authority and expertise of leading contributors from an international board of authors - Presents the latest release in the Annual Report on Computational Chemistry series - Covers topics ranging from atomistic modeling of surface plasmon resonances to computational organofluorine chemistry

Chemical Kinetics and Catalysis - Perspectives, Developments and Applications
Chemical Kinetics and Catalysis - Perspectives, Developments and Applications

Author: Rozina Khattak

Publisher: BoD – Books on Demand

Published: 2024-05-22

Total Pages: 104

ISBN-13: 085466257X

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This book gathers perspectives, applications, and developments in the extensively researched fields of chemical kinetics and catalysis. Catalysis is a key component of modern industry advancements ranging from production to energy and environmental sustainability, and chemical kinetics offers important information about a reaction. In addition to discussing redox processes, kinetics, and density functional theory, this book bridges the gap between the worlds of enzymes and electric fields and focuses on the shortcomings of transition state theory (TST).

Collapse of the Wave Function
Collapse of the Wave Function

Author: Shan Gao

Publisher: Cambridge University Press

Published: 2018-04-26

Total Pages: 361

ISBN-13: 1108428983

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An overview of the collapse theories of quantum mechanics. Written by distinguished physicists and philosophers of physics, it discusses the origin and implications of wave-function collapse, the controversies around collapse models and their ontologies, and new arguments for the reality of wave function collapse.

Apatites and their Synthetic Analogues
Apatites and their Synthetic Analogues

Author: Petr Ptáček

Publisher: BoD – Books on Demand

Published: 2016-04-13

Total Pages: 516

ISBN-13: 9535122657

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Apatite-type minerals and their synthetic analogues are of interest of many industrial branches and scientific disciplines including material sciences, chemical industry, agriculture, geology, medicine and dentistry. This book provides a basic overview of general knowledges of this topic in order to provide the comprehensive survey from a scientific and technological perspective. The book is divided into 10 chapters, which are devoted to the structure and properties of minerals from the supergroup of apatite, experimental techniques of preparation and characterization of synthetic analogues of apatite minerals, substitution in the structure of apatite as well as utilization of these materials in wide range of common and special advanced applications in industry, material sciences and research. Additionally, the phosphate rocks, their classification, geological role, mining and beneficiation of phosphate ore, production of elemental phosphorus, phosphoric acid and fertilizers are also described. Although this book is meant for chemist, material scientist and research engineers, the individual chapters contain theoretical background, historical aspects as well as examples of synthetic and analytical methods which may be also interesting for students and non-expert readers as well.

Condensed Matter Field Theory
Condensed Matter Field Theory

Author: Alexander Altland

Publisher: Cambridge University Press

Published: 2010-03-11

Total Pages: 785

ISBN-13: 0521769752

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This primer is aimed at elevating graduate students of condensed matter theory to a level where they can engage in independent research. Topics covered include second quantisation, path and functional field integration, mean-field theory and collective phenomena.

Classical And Quantum Dynamics In Condensed Phase Simulations: Proceedings Of The International School Of Physics
Classical And Quantum Dynamics In Condensed Phase Simulations: Proceedings Of The International School Of Physics

Author: Bruce J Berne

Publisher: World Scientific

Published: 1998-06-17

Total Pages: 881

ISBN-13: 9814496057

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The school held at Villa Marigola, Lerici, Italy, in July 1997 was very much an educational experiment aimed not just at teaching a new generation of students the latest developments in computer simulation methods and theory, but also at bringing together researchers from the condensed matter computer simulation community, the biophysical chemistry community and the quantum dynamics community to confront the shared problem: the development of methods to treat the dynamics of quantum condensed phase systems.This volume collects the lectures delivered there. Due to the focus of the school, the contributions divide along natural lines into two broad groups: (1) the most sophisticated forms of the art of computer simulation, including biased phase space sampling schemes, methods which address the multiplicity of time scales in condensed phase problems, and static equilibrium methods for treating quantum systems; (2) the contributions on quantum dynamics, including methods for mixing quantum and classical dynamics in condensed phase simulations and methods capable of treating all degrees of freedom quantum-mechanically.