Articles with "theoretically predicted" as a keyword



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Theoretically predicted divalent silicon(0) compounds: Structures and chemical bonding of silylone in molybdenum pentacarbonyl complexes [Mo(CO)5-Si(XCp∗)2] (X = B–Tl)

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Published in 2018 at "Computational and Theoretical Chemistry"

DOI: 10.1016/j.comptc.2018.03.021

Abstract: Abstract Quantum chemical calculations of structures and bonding in the transition metal complexes with silylone ligands [Mo(CO)5-Si(XCp∗)2] (Mo5-SiX) (X = B–Tl) are reported at the BP86 level of theory with various basis sets SVP, TZVPP, TZ2P + . The… read more here.

Keywords: predicted divalent; theoretically predicted; silylone; divalent silicon ... See more keywords