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- W2012079210 abstract "The rotational constants of eight typical 4-ring molecules represented by the semi-rigid model of type C2v/Cs are analysed in terms of the kinetic coefficients of the rotation-puckering model formulated with spherical coordinates θ, φ as internal dynamic coordinates. It is shown that practically all 4-ring molecules may be considered as slightly perturbed D4h/D2d-type (cyclobutane, φ = π/4) semi-rigid models. The coordinate φ is practically independent of the puckering state and always lies in the range 40° < φ < 45°. The coordinate θ almost completely describes the puckering mode and its θv-values depend either monotonically (low barrier) or zig-zag (high barrier) on v." @default.
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- W2012079210 date "1980-02-01" @default.
- W2012079210 modified "2023-10-16" @default.
- W2012079210 title "Use of spherical coordinates for the 4-ring rotation-puckering problem" @default.
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