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- W2040258952 abstract "In this paper we present a computer program (in FORTRAN IV) for calculating the absolute infrared intensities (or frequencies) of a diatomic molecule or of local diatomic groups using a theoretical dipole (and/or potential) function. The formalism is based in the perturbation theory and take into account four cases:(1) the electrical and mechanical harmonicity, (2) the electrical harmonicity and mechanical anharmonicity, (3) the mechanical harmonicity and electrical anharmonicity and (4) the electrical and mechanical anharmonicity." @default.
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- W2040258952 date "1985-01-01" @default.
- W2040258952 modified "2023-09-23" @default.
- W2040258952 title "Calculation of the absolute infrared frequencies and intensities of a diatomic molecule or of local diatomic groups" @default.
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- W2040258952 doi "https://doi.org/10.1016/0097-8485(85)80028-0" @default.
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