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- W2320492015 abstract "The complete GVFF of dimethylether has been determined from ab initio (4–31 G) energies. The scale-factor method was applied to adjust seven scale factors on 85 experimental frequencies. The average difference between calculated and experimental frequencies amounted to 6·2 cm-1 or 0·44 per cent. Infra-red and Raman intensities of CH3OCH3 were measured in the gas phase. Calculated infra-red intensities (using the same 4–31 G basis set) agree well with the experimental data. Raman intensities, however, deviate greatly." @default.
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- W2320492015 date "1977-08-01" @default.
- W2320492015 modified "2023-10-16" @default.
- W2320492015 title "Application of self-consistent-field <i>ab initio</i> calculations to organic molecules" @default.
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- W2320492015 doi "https://doi.org/10.1080/00268977700101901" @default.
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