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Titlebook: Vibronic Coupling Density; Understanding Molecu Tatsuhisa Kato,Naoki Haruta,Tohru Sato Book 2021 The Author(s), under exclusive license to

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發(fā)表于 2025-3-21 19:16:28 | 只看該作者 |倒序瀏覽 |閱讀模式
書目名稱Vibronic Coupling Density
副標(biāo)題Understanding Molecu
編輯Tatsuhisa Kato,Naoki Haruta,Tohru Sato
視頻videohttp://file.papertrans.cn/983/982812/982812.mp4
概述Provides a rational and convincing understanding of the frontier orbital theory.Includes figures that are visualizations for tracing the paths of chemical reactions.Leads the reader to a systematic re
叢書名稱SpringerBriefs in Molecular Science
圖書封面Titlebook: Vibronic Coupling Density; Understanding Molecu Tatsuhisa Kato,Naoki Haruta,Tohru Sato Book 2021 The Author(s), under exclusive license to
描述.This book introduces vibronic coupling density and vibronic coupling constant analyses as a way to understand molecular structure and chemical reactions. After quantum study, the behavior of electrons circulating around nuclei led to the principal concept that underlies all explanations in chemistry. Many textbooks have given plausible explanations to clarify molecular structure—for example, the bond elongation of ethylene under anionization and the nonplanar structure of ammonia. Frontier molecular orbital concepts were proposed to visualize the path of chemical reactions, and conventional explanations gave students a familiarity with molecular structures in terms of the electronic state.? By contrast, this book offers a more rational and more convincing path to understanding. It starts from the ab initio molecular Hamiltonian and provides systematic, rational approaches to comprehend chemical phenomena. In this way, the book leads the reader to a grasp of the quantitative evaluation of the force applied under the molecular deformation process. As well, guidelines are offered for integrating the traditional “hand-waving” approach of chemistry with more rational and general VCD an
出版日期Book 2021
關(guān)鍵詞Vibronic coupling density; Frontier orbital theory; Fukui function; Jahn-Teller effect; Transition dipol
版次1
doihttps://doi.org/10.1007/978-981-16-1796-6
isbn_softcover978-981-16-1795-9
isbn_ebook978-981-16-1796-6Series ISSN 2191-5407 Series E-ISSN 2191-5415
issn_series 2191-5407
copyrightThe Author(s), under exclusive license to Springer Nature Singapore Pte Ltd. 2021
The information of publication is updating

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沙發(fā)
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2191-5407 hs of chemical reactions.Leads the reader to a systematic re.This book introduces vibronic coupling density and vibronic coupling constant analyses as a way to understand molecular structure and chemical reactions. After quantum study, the behavior of electrons circulating around nuclei led to the p
地板
發(fā)表于 2025-3-22 06:59:14 | 只看該作者
Qualitative Explanation of Molecular Structures by Various Approaches,ic landmark for modern chemistry, which is based on the valence bond. It invests each atom with the valence according to the number of electron, which is the basic concept for chemical bonds of the molecule; however, it has the fatal fault .. VSEPR is more applicable to elucidate various molecular s
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發(fā)表于 2025-3-22 08:57:46 | 只看該作者
Molecular Deformations and Vibronic Couplings,s. An approximate molecular Hamiltonian for a polyatomic molecule is introduced. The origins of molecular deformations, vibronic couplings, are discussed for non-degenerate electronic states and degenerate electronic states (Jahn–Teller effect, pseudo-Jahn–Teller effect, and Renner–Teller effect).
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Definitions and Derivations,nition of VCC and VCD, we will introduce Dirac’s notation and the basic concept of group and symmetry. The definition of the normal coordinates will be given, and the characters and the direct products will be tabulated for the treatments of group and symmetry.
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發(fā)表于 2025-3-23 01:55:31 | 只看該作者
Book 2021ons. After quantum study, the behavior of electrons circulating around nuclei led to the principal concept that underlies all explanations in chemistry. Many textbooks have given plausible explanations to clarify molecular structure—for example, the bond elongation of ethylene under anionization and
10#
發(fā)表于 2025-3-23 09:06:13 | 只看該作者
Tatsuhisa Kato,Naoki Haruta,Tohru SatoProvides a rational and convincing understanding of the frontier orbital theory.Includes figures that are visualizations for tracing the paths of chemical reactions.Leads the reader to a systematic re
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