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QCPE

THIS INFORMATION IS OBSOLETE AND IS PROVIDED ONLY FOR ITS HISTORICAL VALUE

QCPE
Main / Catalog / Section07


164. MOSTR: Molecular Parameter for Diatomic Molecules Calculated from Infrared Spectral Data in the 2 to 15 Micron Region

by Morris Bader, Department of Chemistry, Moravian College, Bethlehem, Pennsylvania 18018

To calculate rotational constants, moments of inertia, internuclear distances, vibration frequencies, force constants, and the anharmonicity constant for various diatomic molecules in the ground state, first excited state, and the zero-point energy state, from infrared spectral data in the 2 to 15 micron region.

FORTRAN IV (IBM 1130) Lines of Code: 169 Recommended Citation: M. Bader, QCPE 11, 164 (1970).


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