| 書(shū)目名稱 | Introduction to Elementary Molecular Orbital Theory and to Semiempirical Methods | | 編輯 | Georges Henry Wagnière | | 視頻video | http://file.papertrans.cn/474/473659/473659.mp4 | | 叢書(shū)名稱 | Lecture Notes in Chemistry | | 圖書(shū)封面 |  | | 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 | | doi | https://doi.org/10.1007/978-3-642-93050-8 | | isbn_softcover | 978-3-540-07865-4 | | isbn_ebook | 978-3-642-93050-8Series ISSN 0342-4901 Series E-ISSN 2192-6603 | | issn_series | 0342-4901 | | copyright | Springer-Verlag Berlin · Heidelberg 1976 |
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