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• W1971342724 abstract "The intensities and frequencies of Fermi-coupled stretching and bending overtone transitions in CHCl3 were calculated by means of a variational method. Symmetrized two-dimensional ab initio potential and dipole moment surfaces were determined at the MP2 level using the 6-31G** basis set. The Hamiltonian for the CH- stretching motion and the simultaneously excited twofold degenerate CH- bending vibration is expressed most easily in cylindrical coordinates. Absorption intensities up to the Δv=7 CH-stretching overtone above 16 300 cm−1 are calculated and are compared to former experimental values and theoretical results. New quantitative intracavity measurements for the N=6 polyad are presented. Relative errors between absolute experimental intensities and the calculated values are less than 30%." @default.
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• W1971342724 date "1995-08-22" @default.
• W1971342724 modified "2023-09-26" @default.
• W1971342724 title "Vibrational transitions of coupled stretching and bending overtones in chloroform" @default.
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• W1971342724 doi "https://doi.org/10.1063/1.470485" @default.
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