Unravelling the factors affecting the stability and reactivity of dehydro- pyrazole, isothiazole and isoxazole radical isomers: A computational study

Anjali Mahadevan, Piyush Kumar, Shabana Butt, Archana Velloth,Sugumar Venkataramani

New Journal of Chemistry(2024)

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Abstract
Reactive open-shell ring systems comprising C, N, O, and S atoms are crucial to the radiation-induced molecular evolution and relevant to life and interstellar regions. Herein, we targeted the dehydro...
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