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- W2005154927 abstract "The molecular structure, infrared spectrum and analytical potential energy function of phosphorus (III) oxythiocyanide (OP-SCN) is investigated in theoretical point of view using DFT theory employing various standard basis sets. This study extended to predict unknown vibrational frequencies and intensities of this molecule using different basis set, as well as provide theoretical insight into its chemical behavior." @default.
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- W2005154927 date "2004-05-01" @default.
- W2005154927 modified "2023-09-25" @default.
- W2005154927 title "Analytical potential energy function and vibrational spectra of OPSCN: density functional theory calculations" @default.
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- W2005154927 doi "https://doi.org/10.1016/j.theochem.2003.11.047" @default.
- W2005154927 hasPublicationYear "2004" @default.
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