Repozytorium
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Kolekcje
Inne
Are hydrogen bonds to sulfur and oxygen different? Theoretical study of dimethylsulfide and dimethylether complexes with nitric acid.
Autorzy
Rok wydania
2004
Czasopismo
Numer woluminu
391
Strony
143-147
DOI
10.1016/j.cplett.2004.04.101
Kolekcja
Język
Angielski
Typ publikacji
Artykuł
Ab initio and DFT calculations have been performed on the (CH3)2S–HNO3 and (CH3)2O–HNO3 systems. The results are discussed and compared for these complexes considering both structural and energetic consequences of the hydrogen bonding. Vibrational parameters are also presented and compared to the available experimental data.
Adres publiczny
https://doi.org/10.1016/j.cplett.2004.04.101