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• W2012645356 abstract "Structures and interaction energies of complexes valence isoelectronic to the important CO⋯H2O complex, namely SiO⋯H2O and CS⋯H2O, have been studied for the first time using high-level ab initio methods. Although CO, SiO, and CS are valence isoelectronic, the structures of their complexes with water differ significantly, owing partially to their widely varied dipole moments. The predicted dissociation energies D0 are 1.8 (CO⋯H2O), 2.7 (CS⋯H2O), and 4.9 (SiO⋯H2O) kcal/mol. The implications of these results have been examined in light of the dipole moments of the separate moieties and current concepts of hydrogen bonding. It is hoped that the present results will spark additional interest in these complexes and in the general non-covalent paradigms they represent." @default.
• W2012645356 created "2016-06-24" @default.
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• W2012645356 date "2012-06-28" @default.
• W2012645356 modified "2023-09-25" @default.
• W2012645356 title "From strong van der Waals complexes to hydrogen bonding: From CO⋯H₂O to CS⋯H₂O and SiO⋯H₂O complexes" @default.
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• W2012645356 doi "https://doi.org/10.1063/1.4730298" @default.
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