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• W2044216565 abstract "Assuming tetrahedral symmetry, a geometry optimization for Ni(CO)4 has been performed using the LCGTO Xα method. The results for various spectroscopic constants are in satisfactory agreement with experiment. However, the values for the metal—carbon bond length, for the frequency of the corresponding stretching motion and for the dissociation energy indicate a slight overestimation of the metal—carbon bond strength. The contrasting findings for the nickel—distance from the HF and the Xα method are correlated with their description of pertinent metal configurations." @default.
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• W2044216565 date "1985-10-01" @default.
• W2044216565 modified "2023-09-23" @default.
• W2044216565 title "On the bonding in transition-metal compounds: A comparison of LDF and HF results for Ni(CO)4" @default.
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• W2044216565 doi "https://doi.org/10.1016/0009-2614(85)85619-0" @default.
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