Abstract
The challenge from transition metal chemistry has been met over the last twenty years with increasing success by theoretical chemists using a variety of methods ranging from calculations on the back of an envelope to computations on mainframe computers. The qualitative “back of the envelope” type of calculations have clearly had a profound influence not only on the field of transition metal chemistry as a whole, but also on practitioners of more extensive calculation schemes by forcing them to provide a qualitative analysis of the-(at best) quantitative results, and we present here a scheme, the generalized transition state method1, by which quantitative (or at least extensive) calculations can be subjected to a qualitative analysis.
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References
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© 1986 D. Reidel Publishing Company
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Ziegler, T., Tschinke, V., Versluis, L. (1986). Quantitative Results and Qualitative Analysis by the Hartree-Fock-Slater Transition State Method. In: Veillard, A. (eds) Quantum Chemistry: The Challenge of Transition Metals and Coordination Chemistry. NATO ASI Series, vol 176. Springer, Dordrecht. https://doi.org/10.1007/978-94-009-4656-9_14
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DOI: https://doi.org/10.1007/978-94-009-4656-9_14
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