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Molecular modeling calculations under assumption of an ideal octahedral geometry show lengthening of the Rh-P bond trans to the hydride (distortion of the octahedral geometry was not considered): J. S. Giovannetti, C. M. Kelly, C. R. Landis, J. Am. Chem. Soc. 1993, 115, 4040-4057.
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Simulations were performed with the computer program PHIP+ + , which was developed by T. Greve (Bonn, Germany)
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Simulations were performed with the computer program PHIP+ + , which was developed by T. Greve (Bonn, Germany).
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Ph.D. thesis, Universität Bonn
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A. Harthun, Ph.D. thesis, Universität Bonn, 1996.
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Polarization signals of the dihydride catalyst-substrate complex by hydrogenation with 2c are only observed when 1 is partially deuterated beforehand; this may be due to an inverse kinetic isotope effect: M. R. Bullock in Transition Metal Hydrides (Ed.: A. Dedieu), VCH, Weinheim, 1992, 263-307.
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