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Titlebook: Understanding Molecular Properties; A Symposium in Honou John Avery,Jens Peder Dahl,Aage E. Hansen Book 1987 D. Reidel Publishing Company,

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书目名称Understanding Molecular Properties
副标题A Symposium in Honou
编辑John Avery,Jens Peder Dahl,Aage E. Hansen
视频video
图书封面Titlebook: Understanding Molecular Properties; A Symposium in Honou John Avery,Jens Peder Dahl,Aage E. Hansen Book 1987 D. Reidel Publishing Company,
描述"The Theory of Atomic Spectra", surrrrnanzlllg all that was then known about the quantum theory of free atoms; and in 1961, J.S. Griffith published "The Theory of Transition Metal Ions", in which he combined the ideas in Condon and Shortley‘s book with those of Bethe, Schlapp, Penney and Van Vleck. All this work, however, was done by physicists, and the results were reported in a way which was more accessable to physicists than to chemists. In the meantime, Carl J. Ballhausen had been studying quantum theory with W. Moffitt at Harvard; and in 1962 (almost simultaneously with Griffith) he published his extremely important book, "Introduction to Ligand Field Theory". This influential book was written from the standpoint of a chemist, and it became the standard work from which chemists learned the quantum theory of transition metal complexes. While it treated in detail the group theoretical aspects of crystal field theory, Carl J. Ballhausen‘s book also emphasized the limitations of the theory. As he pointed out, it is often not sufficient to treat the central metal ion as free (apart from the influence of the charges on the surrounding ligands): - In many cases hybridization of metal
出版日期Book 1987
关键词chemical reaction; metals; optical activity; quantum chemistry; spectroscopy; structure
版次1
doihttps://doi.org/10.1007/978-94-009-3781-9
isbn_softcover978-94-010-8182-5
isbn_ebook978-94-009-3781-9
copyrightD. Reidel Publishing Company, Dordrecht, Holland 1987
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A Theoretical Approach to Chemical Reactions at Solid SurfacesA semiclassical approach in which the phonon dynamics is treated quantum mechanically and the dynamics of the scattered particles by classical mechanics is briefly presented. Results on inelastic scattering, energy accomodation and chemical reactions on a Pt(111) surface are discussed.
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https://doi.org/10.1007/978-94-009-3781-9chemical reaction; metals; optical activity; quantum chemistry; spectroscopy; structure
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The Cellular Ligand-Field Modelstribution in transition-metal complexes. A view that it is not the business of ligand-field studies to compute bond energies sets the cellular ligand-field approach well apart from the angular overlap model both in principle and practice.
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Solvent Dynamical and Symmetrized Potential Aspects of Electron Transfer Rates motion of the reactants is included in the present treatment. The overall decay can be single- or multi-exponential. A simple approximate expression is given for a characteristic reaction time. The “symmetrization” approximation in the cross-relation is also discussed.
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