*Jean-Pierre Launay and Michel Verdaguer*

- Published in print:
- 2017
- Published Online:
- November 2018
- ISBN:
- 9780198814597
- eISBN:
- 9780191852411
- Item type:
- book

- Publisher:
- Oxford University Press
- DOI:
- 10.1093/oso/9780198814597.001.0001
- Subject:
- Physics, Atomic, Laser, and Optical Physics, Condensed Matter Physics / Materials

The book treats in a unified way electronic properties of molecules (magnetic, electrical, photophysical), culminating with the mastering of electrons, i.e. molecular electronics and spintronics and ...
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The book treats in a unified way electronic properties of molecules (magnetic, electrical, photophysical), culminating with the mastering of electrons, i.e. molecular electronics and spintronics and molecular machines. Chapter 1 recalls basic concepts. Chapter 2 describes the magnetic properties due to localized electrons. This includes phenomena such as spin cross-over, exchange interaction from dihydrogen to extended molecular magnetic systems, and magnetic anisotropy with single-molecule magnets. Chapter 3 is devoted to the electrical properties due to moving electrons. One considers first electron transfer in discrete molecular systems, in particular in mixed valence compounds. Then, extended molecular solids, in particular molecular conductors, are described by band theory. Special attention is paid to structural distortions (Peierls instability) and interelectronic repulsions in narrow-band systems. Chapter 4 treats photophysical properties, mainly electron transfer in the excited state and its applications to photodiodes, organic light emitting diodes, photovoltaic cells and water photolysis. Energy transfer is also treated. Photomagnetism (how a photonic excitation modifies magnetic properties) is introduced. Finally, Chapter 5 combines the previous knowledge for three advanced subjects: first molecular electronics in its hybrid form (molecules connected to electrodes acting as wires, diodes, memory elements, field-effect transistors) or in the quantum computation approach. Then, molecular spintronics, using, besides the charge, the spin of the electron. Finally the theme of molecular machines is presented, with the problem of the directionality control of their motion.Less

The book treats in a unified way electronic properties of molecules (magnetic, electrical, photophysical), culminating with the mastering of electrons, *i.e*. molecular electronics and spintronics and molecular machines. Chapter 1 recalls basic concepts. Chapter 2 describes the magnetic properties due to localized electrons. This includes phenomena such as spin cross-over, exchange interaction from dihydrogen to extended molecular magnetic systems, and magnetic anisotropy with single-molecule magnets. Chapter 3 is devoted to the electrical properties due to moving electrons. One considers first electron transfer in discrete molecular systems, in particular in mixed valence compounds. Then, extended molecular solids, in particular molecular conductors, are described by band theory. Special attention is paid to structural distortions (Peierls instability) and interelectronic repulsions in narrow-band systems. Chapter 4 treats photophysical properties, mainly electron transfer in the excited state and its applications to photodiodes, organic light emitting diodes, photovoltaic cells and water photolysis. Energy transfer is also treated. Photomagnetism (how a photonic excitation modifies magnetic properties) is introduced. Finally, Chapter 5 combines the previous knowledge for three advanced subjects: first molecular electronics in its hybrid form (molecules connected to electrodes acting as wires, diodes, memory elements, field-effect transistors) or in the quantum computation approach. Then, molecular spintronics, using, besides the charge, the spin of the electron. Finally the theme of molecular machines is presented, with the problem of the directionality control of their motion.

*Stefan Thurner, Peter Klimek, and Rudolf Hanel*

- Published in print:
- 2018
- Published Online:
- November 2018
- ISBN:
- 9780198821939
- eISBN:
- 9780191861062
- Item type:
- book

- Publisher:
- Oxford University Press
- DOI:
- 10.1093/oso/9780198821939.001.0001
- Subject:
- Physics, Theoretical, Computational, and Statistical Physics

This book is a comprehensive introduction to quantitative approaches to complex adaptive systems. Practically all areas of life on this planet are constantly confronted with complex systems, be it ...
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This book is a comprehensive introduction to quantitative approaches to complex adaptive systems. Practically all areas of life on this planet are constantly confronted with complex systems, be it ecosystems, societies, traffic, financial markets, opinion formation, epidemic spreading, or the internet and social media. Complex systems are systems composed of many elements that interact with each other, which makes them extremely rich dynamical systems showing a huge range of phenomena. Properties of complex systems that are of particular importance are their efficiency, robustness, resilience, and proneness to collapse. The quantitative tools and concepts needed to understand the co-evolutionary nature of networked systems and their properties are challenging. The intention of the book is to give a self-contained introduction to these concepts so that the reader will be equipped with a conceptual and mathematical toolset that allows her to engage in the science of complex systems. Topics covered include random processes of path-dependent processes, co-evolutionary dynamics, the statistics of driven nonequilibrium systems, dynamics of networks, the theory of scaling, and approaches from statistical mechanics and information theory. The book extends well beyond the early classical literature in the field of complex systems and summarizes the methodological progress over the past twenty years in a clear, structured, and comprehensive way. The book is intended for natural scientists and graduate students.Less

This book is a comprehensive introduction to quantitative approaches to complex adaptive systems. Practically all areas of life on this planet are constantly confronted with complex systems, be it ecosystems, societies, traffic, financial markets, opinion formation, epidemic spreading, or the internet and social media. Complex systems are systems composed of many elements that interact with each other, which makes them extremely rich dynamical systems showing a huge range of phenomena. Properties of complex systems that are of particular importance are their efficiency, robustness, resilience, and proneness to collapse. The quantitative tools and concepts needed to understand the co-evolutionary nature of networked systems and their properties are challenging. The intention of the book is to give a self-contained introduction to these concepts so that the reader will be equipped with a conceptual and mathematical toolset that allows her to engage in the science of complex systems. Topics covered include random processes of path-dependent processes, co-evolutionary dynamics, the statistics of driven nonequilibrium systems, dynamics of networks, the theory of scaling, and approaches from statistical mechanics and information theory. The book extends well beyond the early classical literature in the field of complex systems and summarizes the methodological progress over the past twenty years in a clear, structured, and comprehensive way. The book is intended for natural scientists and graduate students.

*Niels E. Henriksen and Flemming Y. Hansen*

- Published in print:
- 2018
- Published Online:
- November 2018
- ISBN:
- 9780198805014
- eISBN:
- 9780191843129
- Item type:
- book

- Publisher:
- Oxford University Press
- DOI:
- 10.1093/oso/9780198805014.001.0001
- Subject:
- Physics, Atomic, Laser, and Optical Physics

This book deals with a central topic at the interface of chemistry and physics—the understanding of how the transformation of matter takes place at the atomic level. Building on the laws of physics, ...
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This book deals with a central topic at the interface of chemistry and physics—the understanding of how the transformation of matter takes place at the atomic level. Building on the laws of physics, the book focuses on the theoretical framework for predicting the outcome of chemical reactions. The style is highly systematic with attention to basic concepts and clarity of presentation. Molecular reaction dynamics is about the detailed atomic-level description of chemical reactions. Based on quantum mechanics and statistical mechanics or, as an approximation, classical mechanics, the dynamics of uni- and bimolecular elementary reactions are described. The first part of the book is on gas-phase dynamics and it features a detailed presentation of reaction cross-sections and their relation to a quasi-classical as well as a quantum mechanical description of the reaction dynamics on a potential energy surface. Direct approaches to the calculation of the rate constant that bypasses the detailed state-to-state reaction cross-sections are presented, including transition-state theory, which plays an important role in practice. The second part gives a comprehensive discussion of basic theories of reaction dynamics in condensed phases, including Kramers and Grote–Hynes theory for dynamical solvent effects. Examples and end-of-chapter problems are included in order to illustrate the theory and its connection to chemical problems. The book has ten appendices with useful details, for example, on adiabatic and non-adiabatic electron-nuclear dynamics, statistical mechanics including the Boltzmann distribution, quantum mechanics, stochastic dynamics and various coordinate transformations including normal-mode and Jacobi coordinates.Less

This book deals with a central topic at the interface of chemistry and physics—the understanding of how the transformation of matter takes place at the atomic level. Building on the laws of physics, the book focuses on the theoretical framework for predicting the outcome of chemical reactions. The style is highly systematic with attention to basic concepts and clarity of presentation. Molecular reaction dynamics is about the detailed atomic-level description of chemical reactions. Based on quantum mechanics and statistical mechanics or, as an approximation, classical mechanics, the dynamics of uni- and bimolecular elementary reactions are described. The first part of the book is on gas-phase dynamics and it features a detailed presentation of reaction cross-sections and their relation to a quasi-classical as well as a quantum mechanical description of the reaction dynamics on a potential energy surface. Direct approaches to the calculation of the rate constant that bypasses the detailed state-to-state reaction cross-sections are presented, including transition-state theory, which plays an important role in practice. The second part gives a comprehensive discussion of basic theories of reaction dynamics in condensed phases, including Kramers and Grote–Hynes theory for dynamical solvent effects. Examples and end-of-chapter problems are included in order to illustrate the theory and its connection to chemical problems. The book has ten appendices with useful details, for example, on adiabatic and non-adiabatic electron-nuclear dynamics, statistical mechanics including the Boltzmann distribution, quantum mechanics, stochastic dynamics and various coordinate transformations including normal-mode and Jacobi coordinates.