ListarArtículos de revista por tema "Energy decomposition analysis"
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Is σ-hole an electronic exchange channel in YX⋯CO interactions?
(Elsevier Science, 2018)A theoretical study of linear YX⋯CO complexes (in which YX are diatomic interhalogens or hydrogen halide) has been performed to high-level quantum chemical calculations. Calculations show that at the equilibrium geometry, the ...