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• W1975972014 abstract "Abstract A scaled quantum mechanical (SQM) vibrational analysis at the 6–31G ∗ /SCF level was performed for P 3− 7 . The force field was transferred to the isostructural homologues As 3− 7 and Sb 3− 7 and rescaled with two parameters. For As 3− 7 and Sb 3− 7 the calculations confirm an earlier assignment of the vibrational spectra, whereas for P 3− 7 some bands are reassigned. Transfer of a 6–31G ∗ /SCF force field from the isostructural and isoelectronic molecule P 4 S 3 to P 3− 7 confirms the revised assignments. The mechanism of the valence tautomerism in P 3− 7 is also verified." @default.
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• W1975972014 date "1994-03-01" @default.
• W1975972014 modified "2023-09-28" @default.
• W1975972014 title "Vibrational analysis of the P3−7, As3−7, and Sb3−7 cage-like (C3v) anions based on scaled quantum mechanical (SQM) calculations on P3−7" @default.
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• W1975972014 doi "https://doi.org/10.1016/0166-1280(94)80139-8" @default.
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