DOE OSTI · 2578307
Fulminic acid: a quasibent spectacle
Abstract
The 200-year problem of the structure and vibrations of HCNO is solved by pushing electronic structure theory through AE-CCSDTQ(P)/CBS + MVD1.
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Allen, Ashley (ORCID:000900050202801X), Olive, Laura (ORCID:000000031874588X), Gonzalez Franco, Patricia (ORCID:0009000316492353), Barua, Shiblee (ORCID:0000000346393447), Allen, Wesley (ORCID:0000000242882297), Schaefer, Henry (ORCID:0000000302522083). 2024-01-01. Fulminic acid: a quasibent spectacle. https://doi.org/10.1039/d4cp02700k
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