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Beilstein J. Org. Chem. 2007, 3, No. 36, doi:10.1186/1860-5397-3-36
Graphical Abstract
Scheme 1: Electronic and steric differentiations provide the basis for the high selectivity of P,N-ligands in...
Scheme 2: Activation (ΔEa) and reaction (ΔEr) energies (kcal mol-1), computed for the P,N-ligand model with t...
Figure 1: Transition structure for the energetically favored trans to phosphorus addition of ammonia at the P...
Figure 2: Transition structure for the energetically disfavored cis to phosphorus addition of ammonia at the ...
Figure 3: Transition structure for the energetically disfavored trans to phosphorus addition of ammonia at th...
Figure 4: Transition structure for the energetically favored cis to phosphorus addition of ammonia at the Pd-η...
Figure 5: Transition structure for the energetically favored trans to phosphorus addition of ammonia at the P...
Figure 6: Transition structure for the energetically disfavored cis to phosphorus addition of ammonia at the ...
Figure 7: Transition structure for the energetically disfavored cis to phosphorus addition of ammonia at the ...
Figure 8: Transition structure for the energetically favored trans to phosphorus addition of ammonia at the P...
Figure 9: For each phosphabenzene moiety, the site selectivities ΔEaTS increase with more electron withdrawin...
Figure 10: Higher site selectivities, i.e. larger ΔEaTS values, are found for earlier transition structures wi...
Figure 11: Higher site selectivities, i.e. larger ΔEaTS values, are found for transition structures with close...