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Accurate AB Initio Calculation of Anharmonic Force Fields and Spectroscopic Constants of Small Polyatomic Molecules
Accurate AB Initio Calculation of Anharmonic Force Fields and Spectroscopic Constants of Small Polyatomic Molecules
1994
Janet L. Martin
Keywords:
Polyatomic ion
Molecule
Computational chemistry
Anharmonicity
Ab initio
Coupled cluster
Force field (physics)
Mean absolute error
Molecular physics
Electronic correlation
Chemistry
Correction
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