Quantum chemical exploration of conversion pathways and isomeric structures of C16 molecules
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DOI: 10.1016/j.cplett.2018.09.020
Abstract: Abstract Conversion pathways of prism-C16 with a D8h structure to a monocyclic C8h structure on the potential energy surfaces (PES) were elucidated by quantum chemical calculations. Eight four-membered rings on the side faces of prism-C16… read more here.
Keywords: isomeric structures; chemical exploration; quantum chemical; conversion pathways ... See more keywords