1 article(s) from Holzmann, Nicole
Schematic view of the calculated carbenes 1–15.
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Optimized geometries of carbenes 1–15 at the BP86/def2-TZVPP level of theory. Bond lengths and angl...
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Frontier orbitals (BP86/def2-TZVPP) and eigenvalues (in eV) of the carbenes 1–15. The isosurfaces w...
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Schematic view of the major orbital interactions between a carbon atom in the 3P electronic ground ...
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Plot of deformation densities ∆ρ of the pairwise orbital interactions between C(3P) and N(Me)HC=CHN...
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Plot of the ΔEπ values against NBO pπ occupation for the NHC family 1–15.
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Beilstein J. Org. Chem. 2015, 11, 2727–2736, doi:10.3762/bjoc.11.294
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