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- W1972764792 abstract "The normal mode frequencies and corresponding vibrational assignments of bicyclo[1.1.0]butane are examined theoretically using the gaussian 98 set of quantum chemistry codes. All normal modes were successfully assigned to one of eight types of motion predicted by a group theoretical analysis (C–H stretch, C–C stretch, CH2 scissors, CH2 rock, CH2 wag, CH2 twist, C–H wag, and C–C–C bend) utilizing the C2v symmetry of the molecule. Calculated infrared intensities and Raman activities are reported. The vibrational modes of the 1,3-d2, 2,2,4,4-d4 and d6 forms of bicyclo[1.1.0]butane are calculated and compared against available experimental data. Selected molecular orbitals of bicyclo[1.1.0]butane are presented." @default.
- W1972764792 created "2016-06-24" @default.
- W1972764792 creator A5006523179 @default.
- W1972764792 date "2003-08-01" @default.
- W1972764792 modified "2023-09-30" @default.
- W1972764792 title "Vibrational frequencies and structural determination of bicyclo[1.1.0]butane" @default.
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- W1972764792 doi "https://doi.org/10.1016/s0166-1280(03)00243-4" @default.
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