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Titlebook: Nonlinear Hamiltonian Mechanics Applied to Molecular Dynamics; Theory and Computati Stavros C. Farantos Book 2014 The Author(s) 2014 Chemic

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發(fā)表于 2025-3-21 19:08:03 | 只看該作者 |倒序?yàn)g覽 |閱讀模式
書目名稱Nonlinear Hamiltonian Mechanics Applied to Molecular Dynamics
副標(biāo)題Theory and Computati
編輯Stavros C. Farantos
視頻videohttp://file.papertrans.cn/668/667520/667520.mp4
概述Examples from model systems and real molecules.Combines theory and numerical applications to facilitate understanding.Includes supplementary material:
叢書名稱SpringerBriefs in Molecular Science
圖書封面Titlebook: Nonlinear Hamiltonian Mechanics Applied to Molecular Dynamics; Theory and Computati Stavros C. Farantos Book 2014 The Author(s) 2014 Chemic
描述.This brief presents numerical methods for describing and calculating invariant phase space structures, as well as solving the classical and quantum equations of motion for polyatomic molecules. Examples covered include simple model systems to realistic cases of molecules spectroscopically studied..Vibrationally excited and reacting molecules are nonlinear dynamical systems, and thus, nonlinear mechanics is the proper theory to elucidate molecular dynamics by investigating invariant structures in phase space. Intramolecular energy transfer, and the breaking and forming of a chemical bond have now found a rigorous explanation by studying phase space structures..
出版日期Book 2014
關(guān)鍵詞Chemical Dynamics; Modeling of Chemical Reactions; Non-linear Dynamics; Phase Space Structures; Quantum
版次1
doihttps://doi.org/10.1007/978-3-319-09988-0
isbn_softcover978-3-319-09987-3
isbn_ebook978-3-319-09988-0Series ISSN 2191-5407 Series E-ISSN 2191-5415
issn_series 2191-5407
copyrightThe Author(s) 2014
The information of publication is updating

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Nonlinear Hamiltonian Mechanics Applied to Molecular Dynamics978-3-319-09988-0Series ISSN 2191-5407 Series E-ISSN 2191-5415
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發(fā)表于 2025-3-22 07:59:30 | 只看該作者
Epilogue,In this short chapter a summary is given and it is emphasized that nonlinear mechanics applied to molecular dynamics offer unprecedented details which help to understand the quantum behaviours of the molecules. Some ideas for future developments are put forward.
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發(fā)表于 2025-3-22 11:43:38 | 只看該作者
Stavros C. FarantosExamples from model systems and real molecules.Combines theory and numerical applications to facilitate understanding.Includes supplementary material:
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ble that at least part of this effect is due to inadequacies in the current models for these stars, a possibility that is currently under investigation. A more complete description of this work may be found in;
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發(fā)表于 2025-3-23 09:11:13 | 只看該作者
Nonlinear Hamiltonian Mechanics Applied to Molecular DynamicsTheory and Computati
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