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Titlebook: Applied Quantum Chemistry; Proceedings of the N Vedene H. Smith,Henry F. Schaefer,Keiji Morokuma Conference proceedings 1986 D. Reidel Publ

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發(fā)表于 2025-3-21 16:08:18 | 只看該作者 |倒序瀏覽 |閱讀模式
期刊全稱Applied Quantum Chemistry
期刊簡稱Proceedings of the N
影響因子2023Vedene H. Smith,Henry F. Schaefer,Keiji Morokuma
視頻videohttp://file.papertrans.cn/161/160085/160085.mp4
圖書封面Titlebook: Applied Quantum Chemistry; Proceedings of the N Vedene H. Smith,Henry F. Schaefer,Keiji Morokuma Conference proceedings 1986 D. Reidel Publ
影響因子This volume constitutes the proceedings of the Nobel Laureate Symposium on Applied Quantum Chemistry held during the International Chemical Congress of Pacific Basin Societies, 16-21 December 1984, in Honolulu, Hawaii. The Symposium was held in honour of the five Nobel Laureates who have contributed so extensively to the development of Applied Quantum Chemistry. K. Fukui, G. Herzberg, R. Hoffmann, W.N. Lipscomb and R.S. Mulliken. Professors Fukui, Hoffmann and Lipscomb attended and presented plenary lectures to the Symposium. Their lectures and the other invited papers and invited poster presentations brought into focus the current state of Applied Quantum Chemistry and showed the importance of the interaction between quantum theory and experiment. We are indebted to the Subdivision of Theoretical Chemistry and the Division of Physical Chemistry of the American Chemical Society, the Division of Physical Chemistry of the Chemical Institute of Canada, Energy Conversion Devices, Inc., the IBM Corporation, and the Congress for their financial support which helped to make the Symposium possible. We would like to thank Dr. Philip Payne for making some of the local arrangements, and Mrs.
Pindex Conference proceedings 1986
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發(fā)表于 2025-3-21 23:14:36 | 只看該作者
A. Romano,V. Rossini,A. Servidack) has been studied. The reaction pathways of two chemical reactions have been studied by means of finding the coordinate-independent “reaction path” —IRC (intrinsic reaction coordinate proposed by Fukui). The reactions studied by such method are the rearrangement of vinylidene to acetylene and 1,2-cyclo-addition of singlet oxygen to vinylamine.
板凳
發(fā)表于 2025-3-22 00:31:28 | 只看該作者
Environmental Impact Assessmentnes which ultimately yield cyclopentadienyl complexes. One path involves coordination and direct collapse to the cyclopentadienyl complex. The acetylene inserts into a W-C bond in the other path yielding a tungstenabenzene intermediate.
地板
發(fā)表于 2025-3-22 06:52:17 | 只看該作者
Quantum Chemical Studies on Reaction Mechanism and Reaction Path,ck) has been studied. The reaction pathways of two chemical reactions have been studied by means of finding the coordinate-independent “reaction path” —IRC (intrinsic reaction coordinate proposed by Fukui). The reactions studied by such method are the rearrangement of vinylidene to acetylene and 1,2-cyclo-addition of singlet oxygen to vinylamine.
5#
發(fā)表于 2025-3-22 09:03:57 | 只看該作者
Bonding and Reactivity of Tungstenacyclobutadiene Complexes,nes which ultimately yield cyclopentadienyl complexes. One path involves coordination and direct collapse to the cyclopentadienyl complex. The acetylene inserts into a W-C bond in the other path yielding a tungstenabenzene intermediate.
6#
發(fā)表于 2025-3-22 14:05:43 | 只看該作者
Conference proceedings 1986f Pacific Basin Societies, 16-21 December 1984, in Honolulu, Hawaii. The Symposium was held in honour of the five Nobel Laureates who have contributed so extensively to the development of Applied Quantum Chemistry. K. Fukui, G. Herzberg, R. Hoffmann, W.N. Lipscomb and R.S. Mulliken. Professors Fukui
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發(fā)表于 2025-3-22 17:23:10 | 只看該作者
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發(fā)表于 2025-3-23 04:00:55 | 只看該作者
Very Accurate Coupled Cluster Calculations for Diatomic Systems with Numerical Orbitals,at it is meaningful to use these techniques to obtain correlated electron affinities for excited states of diatomic molecules. The first results for excited state affinities are reported for BeO and LiH.
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發(fā)表于 2025-3-23 09:09:55 | 只看該作者
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