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- W2019187511 abstract "Abstract The group vibration method treats large molecules as assemblages of groups of atoms and uses for coordinates displacements of the atoms within each group relative to axes for the group, and rotational and translational displacements of the groups as units. An earlier treatment by the writer assumes the use of principal axes for the groups, and for the molecule as a whole. This restriction is sometimes inconvenient and is shown to be unnecessary. The relatively simple changes which are required when other than principal axes are used are described. Criteria are given which serve as a guide to the selection of coordinates for calculating the vibrational frequencies. For the case of symmetrical molecules a relatively simple method of choosing these coordinates is outlined. Some results obtainable on this method are given for symmetrical linear normal paraffins." @default.
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- W2019187511 date "1961-01-01" @default.
- W2019187511 modified "2023-09-25" @default.
- W2019187511 title "Coordinates for the group vibration method for calculating molecular frequencies" @default.
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- W2019187511 doi "https://doi.org/10.1016/0022-2852(61)90267-3" @default.
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