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Figure 3. Optimized geometries and GCPCM in kcal mol-1 at 298.15 K (and at 423.15 K in parentheses) for systems XIII·PhNH2 (a and b). The values in brackets correspond to GCPCMcor (see text).
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Journal Article
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DOI
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The Pt-catalyzed ethylene hydroamination by aniline: a computational investigation of the catalytic cycle.
[...]
Pavel A. Dub
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Rinaldo Poli
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Institutions (1)
Institut Universitaire de France
1
07 Sep 2010
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Journal of the American Chemical Society