Introducing The Effective Mass Of Activated Complex And The Discussion On The Wave Function Of This Instanton
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Introducing The Effective Mass Of Activated Complex And The Discussion On The Wave Function Of This Instanton
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Author : Petr Ptáček
language : en
Publisher: BoD – Books on Demand
Release Date : 2018-07-18
Introducing The Effective Mass Of Activated Complex And The Discussion On The Wave Function Of This Instanton written by Petr Ptáček and has been published by BoD – Books on Demand this book supported file pdf, txt, epub, kindle and other format this book has been release on 2018-07-18 with Science categories.
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.
Introducing The Effective Mass Of Activated Complex And The Discussion On The Wave Function Of This Instanton
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Author : František
language : en
Publisher:
Release Date : 2018
Introducing The Effective Mass Of Activated Complex And The Discussion On The Wave Function Of This Instanton written by František and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2018 with Physical and theoretical chemistry categories.
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.
Introduction To Metabolic Engineering And Application
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Author : Dibyajit Lahiri
language : en
Publisher: Springer Nature
Release Date : 2025-07-26
Introduction To Metabolic Engineering And Application written by Dibyajit Lahiri and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2025-07-26 with Science categories.
The book unlocks the future of metabolic research with our comprehensive resource, designed for scientists, clinicians, and industry professionals. This expertly curated collection delves into cutting-edge advancements in metabolic pathways, disease mechanisms, and innovative therapeutic strategies. Covering everything from fundamental biochemistry to translational medicine, our content bridges the gap between research and clinical application. Whether you're exploring metabolic disorders, precision medicine, or novel biomarkers, this resource provides in-depth insights backed by the latest scientific discoveries. Elevate your expertise and stay ahead in the dynamic field of metabolic sciences—your essential guide to ground breaking innovations awaits.
Annual Reports On Computational Chemistry
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Author :
language : en
Publisher: Elsevier
Release Date : 2022-11-05
Annual Reports On Computational Chemistry written by and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2022-11-05 with Science categories.
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
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Author : Rozina Khattak
language : en
Publisher: BoD – Books on Demand
Release Date : 2024-05-22
Chemical Kinetics And Catalysis Perspectives Developments And Applications written by Rozina Khattak and has been published by BoD – Books on Demand this book supported file pdf, txt, epub, kindle and other format this book has been release on 2024-05-22 with Science categories.
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).
Physics Briefs
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Author :
language : en
Publisher:
Release Date : 1990
Physics Briefs written by and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1990 with Physics categories.
Introducing An Approach To Effective Mass Of Activated Complex
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Author : Petr Ptáček
language : en
Publisher:
Release Date : 2018
Introducing An Approach To Effective Mass Of Activated Complex written by Petr Ptáček and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2018 with Science categories.
This chapter provides the information about the concept of effective mass and effective velocity of the activated complex and its connection to the transition state theory. Therefore, these parameters are of essential importance for the field of homogenous as well as heterogeneous kinetics. They also prove to be useful for the calculation of many other properties of activated state, such as momentum, energetic density, mass flux, et cetera, as will be demonstrated on the example of thermal decomposition of calcite and aragonite. Since the activation energy and the momentum of activated state enable to complete the characterization of motion of this instanton (pseudoparticle) alongside the reaction coordinate, these parameters can be then considered as two quantum numbers of activated complex. The quantum numbers of activated state, that is, the activation energy and momentum, also explain the relation of activated complex to Planck energy, length and time, as well as to the Gravitational constant. This idea was also applied to derive the wave function of activated complex pseudoparticle, which is affected by the isotopic composition of the sample and polymorphism as well. Furthermore, the findings introduced in this chapter enable to derive and propose the modified Kissinger equation and experimental solution for the approximation parameter in the Doyle equation of temperature integral.
Generalization Of The Activated Complex Theory Of Reaction Rates I Quantum Mechanical Treatment
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Author :
language : en
Publisher:
Release Date : 1964
Generalization Of The Activated Complex Theory Of Reaction Rates I Quantum Mechanical Treatment written by and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1964 with categories.
In its usual form activated complex theory assumes a quasi-equilibrium between reactants and activated complex, a separable reaction coordinate, a Cartesian reaction coordinate, and an absence of interaction of rotation with internal motion in the complex. In the present paper a rate expression is derived without introducing the Cartesian assumption. The expression bears a formal resemblance to the usual one and reduces to it when the added assumptions of the latter are introduced. The new equation for the transmission coefficient contains internal centrifugal terms. The derivation employs an extension of the Stackel-Robertson formalism for separation of variables in mechanics. The fourth assumption can also be weakened and a rotational interaction included in the formalism. In applications of the rate equation use is made of the recent findings that in the immediate vicinity of a saddle-point or a minimum a potential energy surface can be imitated in some major topographical respects by a surface permitting separation of variables. The separated wave equation for the reaction coordinate is then curvilinear because of the usual curvature of the path of steepest ascent to the saddle-point. Calculations of transmission coefficients and rates can be made and compared with those obtainable from the usual one-dimensional Cartesian-like calculations on the one hand and with some based on the numerical integration of the n-dimensional Schrodinger equation on the other. An application to a common three-center problem is discussed.