Characterization of N⋯O non-covalent interactions involving σ-holes: “electrostatics” or “dispersion”
作者： Rahul Shukla , Deepak Chopra
DOI: 10.1039/C6CP05899J
关键词:
摘要: … b |/G b > 2, it points towards the formation of a covalent bond. In our systems, in all the cases at N⋯O BCP, |V b |/G b … 1 X 2 X 3 N⋯OY 1 Y 2 [X 1 /X 2 /X 3 /Y 1 /Y 2 = F, Cl] through ab initio …
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