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• W2074489183 abstract "Geometries, frequencies and energetics of tetrahedral-like (classical) and inverted forms of several silanes SiH 3 –XH n (X=Be, Mg, B, Al, N, P and S), where n is 1 or 2 depending on the X atom, were determined using ab initio wavefunction and DFT methods, and several basis sets including polarization and diffuse functions. Vibrational harmonic frequencies are also discussed and compared with experimental data where available. The error in the calculated frequencies is analyzed and reduced by using scaling formulas." @default.
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• W2074489183 date "2000-08-01" @default.
• W2074489183 modified "2023-10-01" @default.
• W2074489183 title "Ab initio study of geometrical structures of SiH3–XH silanes" @default.
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• W2074489183 doi "https://doi.org/10.1016/s0166-1280(99)00502-3" @default.
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