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. 2024 Sep 3;146(37):25701–25709. doi: 10.1021/jacs.4c07821

Figure 3.

Figure 3

Energy decomposition analysis (in kcal mol–1) and the repulsive occupied–occupied overlap (S) as a function of the H···N bond distance for the representative Me3SiH···NH3, Me3CH···NH3, and MeOH···NH3 complexes. Computed at ZORA-BLYP-D3(BJ)/TZ2P.