The photodissociation of solvated cyclopropanone and its hydrate explored via non-adiabatic molecular dynamics using ΔSCF
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DOI: 10.1039/d1cp05187c
Abstract: The decay of cyclopropanone is a typical example of a photodecomposition process. Ethylene and carbon monoxide are formed following the excitation to the first singlet excited state through a symmetrical or asymmetrical pathway. The results… read more here.
Keywords: adiabatic molecular; non adiabatic; cyclopropanone hydrate; hydrate ... See more keywords