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The curious case of DMSO: A CCSD(T)/CBS(aQ56+d) benchmark and DFT study
This work addresses the pathological behavior of the energetics of dimethyl sulfoxide and related sulfur-containing compounds by …
Laura N. Olive
,
Eric Van Dornshuld
,
Charles Edwin Webster
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DOI
Homogeneous and Heterogeneous Noncovalent Dimers of Formaldehyde and Thioformaldehyde: Structures, Energetics, and Vibrational Frequencies
This work provides the first characterization of five stationary points of the homogeneous thioformaldehyde dimer, (CH
2
S)
2
, and seven …
Eric Van Dornshuld
,
Christina M. Holy
,
Gregory S. Tschumper
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DOI
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