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Titlebook: Applications of Quantum Dynamics in Chemistry; Fabien Gatti,Benjamin Lasorne,André Nauts Book 2017 Springer International Publishing AG 20

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发表于 2025-3-21 18:52:34 | 显示全部楼层 |阅读模式
期刊全称Applications of Quantum Dynamics in Chemistry
影响因子2023Fabien Gatti,Benjamin Lasorne,André Nauts
视频video
发行地址Explains Molecular Quantum Dynamics simulations in a self-contained way, offering instructions for example simulations.Supplemented by scripts and code available for download, with which the reader ca
学科分类Lecture Notes in Chemistry
图书封面Titlebook: Applications of Quantum Dynamics in Chemistry;  Fabien Gatti,Benjamin Lasorne,André Nauts Book 2017 Springer International Publishing AG 20
影响因子.This book explains the usage and application of Molecular Quantum Dynamics, the methodology where both the electrons and the nuclei in a molecule are treated with quantum mechanical calculations. This volume of Lecture Notes in Chemistry addresses graduate students and postdocs in the field of theoretical chemistry, as well as postgraduate students, researchers and teachers from neighboring fields, such as quantum physics, biochemistry, biophysics, or anyone else who is interested in this rising method in theoretical chemistry, and who wants to gain experience in the opportunities it can offer. It can also be useful for teachers interested in illustrative examples of time-dependent quantum mechanics as animations of realistic wave packets have been designed to assist in visualization...Assuming a basic knowledge about quantum mechanics, the authors link their explanations to recent experimental investigations where Molecular Quantum Dynamics proved successful and necessary for the understanding of the experimental results. Examples including reactive scattering, photochemistry, tunneling, femto- and attosecond chemistry and spectroscopy, cold chemistry or crossed-beam experiments
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Quantum Mechanical Backgroundhe theory and its foundations. However, in the present book, we will adopt what can be viewed as a . in which quantum mechanics is regarded as an operational theory designed to predict the outcomes of measurements on physical systems under well-defined conditions.
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Photodissociation Spectroscopyet (UV) domain, induces a fragmentation of a bound molecule. Photodissociations of small polyatomic molecules are the motors for many important chain reactions determining the complex chemistry of the atmosphere and the starting points for many chemical lasers [.]. We consider here two examples: the photodissociations of NOCl and ozone.
发表于 2025-3-22 09:47:04 | 显示全部楼层
https://doi.org/10.1007/978-3-658-12537-0olecular states and thus molecular wavepackets. Quantum coherence will finally be dissipated by interaction with the environment but, before this, quantum coherence may be preserved during a time that is sufficient to trigger a new type of chemical process.
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Book 2017 treated with quantum mechanical calculations. This volume of Lecture Notes in Chemistry addresses graduate students and postdocs in the field of theoretical chemistry, as well as postgraduate students, researchers and teachers from neighboring fields, such as quantum physics, biochemistry, biophysi
发表于 2025-3-23 05:05:26 | 显示全部楼层
https://doi.org/10.1007/978-3-322-92103-1hysics, matter sciences, computer science to chemistry and even to molecular biology. However, quantum mechanics has to face several . of which most relate to the process of . and its . so that, almost one century after its birth, a complete consensus has still not been reached concerning the . of t
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Schlussfolgerungen und Hoffnungen,tting processes are called fluorescence and phosphorescence, respectively). In such a situation, the excess energy first given to the molecule through light absorption is converted into electronic excitation and then transformed into vibrational excitation.
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