Computational study of the hydrogen bonding interactions in the [CH2XNO2·H2O] clusters (X = H, F, Cl, Br, I)
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DOI: 10.1016/j.comptc.2017.05.028
Abstract: Abstract Two kinds of structures are identified for the [CH2XNO2·H2O] (X = H, F, Cl, Br, I) clusters, using ab initio and DFT computational techniques. The configurations of the resulting water complexes arise from the two different… read more here.
Keywords: ch2xno2 h2o; water; computational study; h2o clusters ... See more keywords