Nitrile regio-synthesis by Ni centers on a siliceous surface: implications in prebiotic chemistry.
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DOI: 10.1039/d2cc04361k
Abstract: By means of quantum chemistry (PBE0/def2-TZVPP; DLPNO-CCSD(T)/cc-pVTZ) and small, but reliable models of Polyhedral Oligomeric Silsesquioxanes (POSS), an array of astrochemically-relevant catalysis products, related to prebiotic and origin of life chemistry, has been theoretically explored.… read more here.
Keywords: regio synthesis; chemistry; surface; implications prebiotic ... See more keywords