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- W1991455072 abstract "Double roots for the force constants arise in the solution of the secular equation because of the symmetry of the force constant matrix. If the F matrix is of order m, there are 12m (m − 1) sets of such double roots. These roots correspond to a difference in “phase” of the normal-coordinate composition. The set of single roots applicable to the molecular force field can be in principle found by solving 12m (m + 1) linear equations: Trλi = Tr(GF) = ΣijαsiαsjαuαFij using isotopic substitutions on the α sets of symmetrically equivalent atoms. Application is made to HCN." @default.
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- W1991455072 date "1968-02-01" @default.
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- W1991455072 title "Multiplicity of Force Constants in the Vibrational Analysis of Molecules" @default.
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- W1991455072 doi "https://doi.org/10.1063/1.1668765" @default.
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