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- W2003067283 abstract "We present computations of the structure and of the vibrational frequencies of the cubane molecule at the Hartree-Fock and the MP2 levels of theory with the 6-311G∗ basis set. We also present empirical correction factors for all computational data. The agreement between the corrected theoretical and the experimental data is satisfactory." @default.
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- W2003067283 date "1996-09-01" @default.
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- W2003067283 title "Theoretical studies of the infrared and Raman spectra of cubane" @default.
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- W2003067283 doi "https://doi.org/10.1016/0009-2614(96)00764-6" @default.
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