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• W1982005890 abstract "Results of density functional theory calculations on neutral cyclic selenium clusters Sen (n = 5–12) are presented. Raman spectra are computed in gas phase using the B3LYP functional with Dunning’s correlation-consistent double-zeta cc-pVDZ, cc-pVDZ-PP and aug-cc-pVDZ basis sets. Calculated wavenumber values are compared to the available experimental data. Spectral differences among the investigated clusters are discussed." @default.
• W1982005890 created "2016-06-24" @default.
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• W1982005890 date "2012-05-01" @default.
• W1982005890 modified "2023-09-23" @default.
• W1982005890 title "Density functional theory Raman spectra of cyclic selenium clusters Sen (n=5–12)" @default.
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• W1982005890 doi "https://doi.org/10.1016/j.comptc.2012.02.031" @default.
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