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- W1988049324 abstract "We show how specific parameters of double-rotor molecules can be characterized by up to six symmetry indices depending on whether the molecule is linear, bent planar, or gauche and whether the parameter is scalar or vectorial, aggregate, mononuclear, or binuclear. These symmetry indices can be used to select the distinct, nonzero, harmonic coefficients in the limited Fourier-series expansions of the parameters as functions of the dihedral angles. Illustrative applications are given to the numerical calculations of the torsional potentials for the isomers of xylene and of the hyperfine couplings for the protons in propyl." @default.
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- W1988049324 date "1982-03-15" @default.
- W1988049324 modified "2023-09-26" @default.
- W1988049324 title "The influence of symmetry on the conformational dependences of scalar and vectorial properties for double-rotor molecules" @default.
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- W1988049324 doi "https://doi.org/10.1063/1.443355" @default.
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