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A DFT study on structural and bonding analysis of transition-metal carbonyls [M(CO)4] with terminal silicon chalcogenides complexes [M(CO)3SiX] (M = Ni, Pd, and Pt; X = O, S, Se, and Te)

Palani Vetri, Francisxavier Paularokiadoss, Christian A. Celaya, L. Mary Novena, Jisha Mary Thomas, Thayalaraj Christopher Jeyakumar

2023Computational and Theoretical Chemistry17 citationsDOI

Topics & Concepts

Natural bond orbitalChemistryTransition metalHOMO/LUMOMolecular orbitalCrystallographyBond orderAtom (system on chip)SiliconBond energyMetalComputational chemistryBond lengthDensity functional theoryMoleculeCrystal structureCatalysisOrganic chemistryEmbedded systemComputer scienceCrystallography and molecular interactionsAdvanced Chemical Physics StudiesSynthesis and characterization of novel inorganic/organometallic compounds
A DFT study on structural and bonding analysis of transition-metal carbonyls [M(CO)4] with terminal silicon chalcogenides complexes [M(CO)3SiX] (M = Ni, Pd, and Pt; X = O, S, Se, and Te) | Litcius