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- W2023137360 abstract "The present work reports rotation–vibration energies for the electronic ground stateX3B1of the amidogen ion, NH2+, predicted by means of the MORBID Hamiltonian and computer program (see P. Jensenin“Molecules in the Stellar Environment” (U. G. Jørgensen, Ed.), Lecture Notes in Physics, No. 428. Springer-Verlag, Berlin, 1994, and references therein). The predictions are based on a potential energy function obtained by Barclayet al.(J. Chem. Phys.99,9709–9719 (1993)) in a least-squares fit to the available high-resolution rotation–vibration data forX3B1NH2+(M. Okumura, B. D. Rehfuss, B. M. Dinelli, M. G. Bawendi, and T. Oka,J. Chem. Phys.90,5918–5923 (1989); Y. Kabbadj, T. R. Huet, D. Uy, and T. Oka,J. Mol. Spectrosc.175,277–288 (1996)). We hope that the predicted energies will facilitate the assignment of further rotation–vibration transitions of this interesting, extremely floppy molecule. Further, we give a detailed discussion of the correlation between the linear-molecule and the bent-molecule quantum numbers which have been used in the literature to label the energy levels of the quasilinear NH2+ion." @default.
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- W2023137360 date "1997-01-01" @default.
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- W2023137360 title "Theoretical Rotation–Vibration Energies ofX3B1NH2+" @default.
- W2023137360 doi "https://doi.org/10.1006/jmsp.1996.7159" @default.
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