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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
Characterization of the potential energy surfaces of two small but challenging noncovalent dimers: (P2)2 and (PCCP)2
This work characterizes eight stationary points of the P
2
dimer and six stationary points of the PCCP dimer, including a newly …
Eric Van Dornshuld
,
Gregory S. Tschumper
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DOI
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