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The inversion potential for NH3 and its isotopic species

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Abstract

Usingab initio data of the potential surface for the ground state of NH3 a function is obtained to represent, with a very high precision, the potential along the inversion coordinate. The inversion spectra of NH3, ND3, NH2D and NHD2 are found by numerically solving the Schrödinger equation for this potential. Comparison is made of the calculated inversion frequencies and the experimental values, and the molecular constants of NH3 are also compared to those found in the literature.

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Authors and Affiliations

  1. Departamento de Física, Universidad Autónoma Metropolitana-Iztapalapa, Apdo. Postal 55-534, 09340, México, D. F., México

    A N Aquino

  2. Instituto de Ciencias, Depto. de Física, Universidad Autónoma de Puebla, Apdo. Postal J-48, 72570, Puebla, Pue., México

    A Palma

  3. Area de Física, Div. de CBI, Universidad-Autónoma Metropolitana-Azcapotzalco, Apdo. Postal 16-306, 02200, México D. F., México

    J L López

  4. Depto. de Física y Matemática, Esc. de Ciencias, Universidad de las Americas Puebla, Apdo. Postal 100, 72820, Sta. Catarina, Mártir, Puebla, México

    M A Rosales

Authors
  1. A N Aquino
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  2. A Palma
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  3. J L López
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  4. M A Rosales
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Aquino, A.N., Palma, A., López, J.L. et al. The inversion potential for NH3 and its isotopic species. Pramana - J. Phys 45, 75–80 (1995). https://doi.org/10.1007/BF02848100

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  • DOI: https://doi.org/10.1007/BF02848100

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