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- W2054337104 abstract "Ab initio and density functional theory calculations with aug-cc-pVDZ and aug-cc-pVTZ basis sets have been performed on the HCl-CH3SH dimer and HCl-(CH3SH)2 and (HCl)2-CH3SH trimers. Structures, energetics, and infrared frequencies are calculated. The results are discussed in terms of the cooperativity effect which is a characteristic of H-bonded systems and compared to oxygen-containing analogs of the same trimers, HCl-(CH3OH)2 and (HCl)2-CH3OH, which have been published recently." @default.
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- W2054337104 date "2007-06-28" @default.
- W2054337104 modified "2023-10-16" @default.
- W2054337104 title "Nonadditive effects in the mixed trimers of HCl and methanethiol" @default.
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- W2054337104 doi "https://doi.org/10.1063/1.2747246" @default.
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