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Titlebook: Introduction to Elementary Molecular Orbital Theory and to Semiempirical Methods; Georges Henry Wagnière Textbook 1976 Springer-Verlag Ber

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書目名稱Introduction to Elementary Molecular Orbital Theory and to Semiempirical Methods
編輯Georges Henry Wagnière
視頻videohttp://file.papertrans.cn/474/473659/473659.mp4
叢書名稱Lecture Notes in Chemistry
圖書封面Titlebook: Introduction to Elementary Molecular Orbital Theory and to Semiempirical Methods;  Georges Henry Wagnière Textbook 1976 Springer-Verlag Ber
描述These notes summarize in part lectures held regularly at the University of Zurich and, in the Summer of 1974, at the Semi- nario Latinoamericano de QUimica Cuantica in Mexico. I am grateful to those who have encouraged me to publish these lec- tures or have contributed to them by their suggestions. In particular, I wish to thank Professor J. Keller of the Univer- sidad Nacional Autonoma in Mexico, Professor H. Labhart and Professor H. Fischer of the University of Zurich, as well as my former students Dr. J. Kuhn, Dr. W. Hug and Dr. R. Geiger. The aim of these notes is to provtde a summary and concise introduction to elementary molecular orbital theory, with an emphasis on semiempirical methods. Within the last decade the development and refinement of ab initio computations has tended to overshadow the usefulness of semiempirical methods. However, both approaches have their justification. Ab initio methods are designed for accurate predictions, at the expense of greater computational labor. The aim of semiempirical methods mainly lies in a semiquantitative classification of electronic pro- perties and in the search for regularities within given classes of larger molecules. The reade
出版日期Textbook 1976
關(guān)鍵詞Molekülorbital; Orbital; Orbital Theory; electrons; optical activity
版次1
doihttps://doi.org/10.1007/978-3-642-93050-8
isbn_softcover978-3-540-07865-4
isbn_ebook978-3-642-93050-8Series ISSN 0342-4901 Series E-ISSN 2192-6603
issn_series 0342-4901
copyrightSpringer-Verlag Berlin · Heidelberg 1976
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Textbook 1976imica Cuantica in Mexico. I am grateful to those who have encouraged me to publish these lec- tures or have contributed to them by their suggestions. In particular, I wish to thank Professor J. Keller of the Univer- sidad Nacional Autonoma in Mexico, Professor H. Labhart and Professor H. Fischer of
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Georges Henry Wagnière mainly due to the drive toward sustainability through the electrification of transport. This chapter briefly reviews and analyzes the value chain of LIBs, as well as the supply risks of the raw material provisions. It illustrates some of the global environmental and economic impacts of using materi
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All-valence MO procedures, between atomic core electrons (for instance, Is electrons of second row atoms) and valence electrons (2s, 2p electrons of second row atoms, Is electrons of hydrogen). A further subdivision, into a and π electrons for instance, is of course only possible in the presence of an appropriate element of
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0342-4901 inly lies in a semiquantitative classification of electronic pro- perties and in the search for regularities within given classes of larger molecules. The reade978-3-540-07865-4978-3-642-93050-8Series ISSN 0342-4901 Series E-ISSN 2192-6603
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