Vibronic Coupling Density / SpringerBriefs in Molecular Science (PDF)
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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 and VCC alternatives along with the outlook for newly functionalized chemical systems.
Naoki Haruta received his Ph.D. from Kyoto University in 2016. He is now spending an exciting experience as a young theoretician collaborating with Prof. Sato at the Fukui Institute of Fundamental Chemistry (FIFC). His Ph.D. work on VCD analysis was carried out under Prof. Sato. He recently has expanded the scope of his work to include theoretical research into metal clusters and nano-structures. He has published 21 articles as of April 2020 and received the Kenichi Fukui Encouragement Award in 2019, the Young Scholar Lecture Award from theChemical Society of Japan in
- Autoren: Tatsuhisa Kato , Naoki Haruta , Tohru Sato
- 2021, 1st ed. 2021, 113 Seiten, Englisch
- Verlag: Springer Nature Singapore
- ISBN-10: 9811617961
- ISBN-13: 9789811617966
- Erscheinungsdatum: 18.06.2021
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- Grösse: 3.31 MB
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