Computational Study of Hydrogen Bond Interactions in Water Cluster–Organic Molecule Complexes

We analyzed the interactions present in complexes that acetone, azomethane, dimethylamine, dimethyl ether, methyl acetate, and oxirane form with 39 different (H2O) n clusters (n = 1–10). A random generation of configurations and a subsequent screening procedure were employed to sample representative...

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Veröffentlicht in:	The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Molecules, spectroscopy, kinetics, environment, & general theory, 2021-04, Vol.125 (16), p.3369-3377
Hauptverfasser:	Romero-Montalvo, Eduardo, DiLabio, Gino A
Format:	Artikel
Sprache:	eng
Schlagworte:	A: Structure, Spectroscopy, and Reactivity of Molecules and Clusters
Online-Zugang:	Volltext
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