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Theoretical and experimental revision of the water bending excitation in the OH/OD + GeH4 reactions

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Abstract

The bending force constant associated with formation water that is selected for the potential energy surface describing the OH/OD + GeH4 reaction is shown to be important for the degree of bending excitation of H2O and HOD.

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Acknowledgements

This work was partially supported by Junta de Extremadura and European Regional Development Fund, Spain (Projects Nos. GR18010 and IB16013).

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Authors and Affiliations

  1. Departamento de Quimica Fisica, Universidad de Extremadura, 06071, Badajoz, Spain

    J. Espinosa-Garcia & J. C. Corchado

  2. N.N. Semenov Federal Research Center for Chemical Physics, Russian Academy of Sciences, Moscow, Russian Federation, 119991

    N. I. Butkovskaya

  3. Department of Chemistry, Kansas State University, Manhattan, KS, 66506, USA

    D. W. Setser

Authors
  1. J. Espinosa-Garcia
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  2. J. C. Corchado
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  3. N. I. Butkovskaya
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  4. D. W. Setser
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Correspondence to J. Espinosa-Garcia.

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Espinosa-Garcia, J., Corchado, J.C., Butkovskaya, N.I. et al. Theoretical and experimental revision of the water bending excitation in the OH/OD + GeH4 reactions. Theor Chem Acc 138, 119 (2019). https://doi.org/10.1007/s00214-019-2506-2

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  • DOI: https://doi.org/10.1007/s00214-019-2506-2

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