| 書目名稱 | The New World of Quantum Chemistry | | 副標題 | Proceedings of the S | | 編輯 | Bernard Pullman,Robert Parr | | 視頻video | http://file.papertrans.cn/916/915006/915006.mp4 | | 叢書名稱 | Quantum Chemistry | | 圖書封面 |  | | 描述 | Bernard PULLMAN During a long period organic chemistry was one of the pre- ferred field of exploration for many quantum chemists. It still remains of major interest for a number of them, but altogether it seems as if the center of gravity of the quantum molecular theories became displaced towards different horizons. The dis- placement seems in fact to occur in two directions. On the one hand, we see a prominent development of very refined computations for relatively small and frequently inorganic molecular systems with the view of a better and better reproduction of their obser- vable properties and thus a better understanding of the fundamen- tal principles governing the electronic structure of molecules. On the other hand, there is a no less prominent development of frequently also no less refined computations towards the study of molecular systems which because of their dimensions or the com- plexity of the questions which they raise go beyond the usual treatment of organic molecules. These later studies involve in particular the penetration of quantum-mechanical concepts and me- thods into the realm of biochemistry, biophysics, and pharma~olo- gy. It so happens that because of | | 出版日期 | Conference proceedings 1976 | | 關鍵詞 | Atom; Sorption; catalysis; chemical bond; chemical reaction; quantum chemistry; structure | | 版次 | 1 | | doi | https://doi.org/10.1007/978-94-010-1523-3 | | isbn_softcover | 978-94-010-1525-7 | | isbn_ebook | 978-94-010-1523-3 | | copyright | D. Reidel Publishing Company, Dordrecht, Holland 1976 |
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