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- W2018833963 abstract "Abstract Si-Cl bond distances for the X2 Π ground and low lying b4 Σ, A2 Σ and B'2 Δ excited states of SiCl have been optimized at the SCF and CI level with 6–31G★ basis set. Optimized bond distances are in good agreement with experimental values. Computed electronic excitation energies for the X2Π-A2Σ and X2Π-B'2 Δ transitions compare well with the observed spectrum. The calculated harmonic vibrational frequency for the ground state, 525.2 cm−1, also agrees with the experimental value 535.6 cm−1." @default.
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- W2018833963 date "1986-11-01" @default.
- W2018833963 modified "2023-09-24" @default.
- W2018833963 title "Molecular orbital studies of the spectral and structural properties of chlorosilylidyne, SiCl" @default.
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- W2018833963 doi "https://doi.org/10.1016/0009-2614(86)80553-x" @default.
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