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- W1963924247 abstract "As part of the data system for molecules and crystals ( MXDS ), a data program with interactive access ( MVIB ) has been prepared. Using this program the vibrational frequencies and modes can be calculated from the force constants and structure parameters already stored in the computer. So far the chain molecules consisting of the CH3, CH2, CH3-O-CH2, CH2-O-CH2, CH3-S-CH2, CH2-S-CH2, CH2-Cl, CH2-Br, CH2-I, CH2-F, CH3-CO-CH2, CH2-CO-CH2, CH3-CO-O-CH2, CH2-CO-O-CH3, CH2-CO-O-CH2, and their deuterated groups have been dealt with and the force constants from the frequencies of smaller molecules have been accumulated. The frequencies of larger molecules have been calculated by MVIB and have been compared with the data on the Raman and infrared spectra observed in various states of aggregation. The results show that such an approach provides a reliable and convenient method for determining the conformations of rotational isomers. The problems encountered during the course of the study are discussed." @default.
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- W1963924247 date "1978-01-01" @default.
- W1963924247 modified "2023-10-01" @default.
- W1963924247 title "Normal Vibrations and Rotational Isomerism" @default.
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- W1963924247 doi "https://doi.org/10.1016/0022-2860(78)87135-x" @default.
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