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Analysis of the Full Vibrational Dynamics of the LiNC/LiCN Molecular System

  • P. BenítezEmail author
  • J. C. Losada
  • R. M. Benito
  • F. Borondo
Conference paper
Part of the Springer Proceedings in Mathematics & Statistics book series (PROMS, volume 54)

Abstract

A study of the LiNC/LiCN triatomic molecule vibrational dynamics including all three degrees of freedom (dof) using Frequency Map and Small Alignment Index (SALI) analysis is presented. SALI maps are computed as two-dimensional phase space representations, where its asymptotic values are represented in a color scale. These maps provide full information on the dynamical phase space structure of the system, regardless of its dimensionality. SALI results for the 3dof LiNC/LiCN are compared with 2dof results previously reported for this molecule by our group. A representation of the SALI values on the frequency space, that allows a deeper analysis of the dynamics of the system, is also studied.

Keywords

Reference Trajectory Deviation Vector Stable Isomer Minimum Energy Path Vibrational Dynamic 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

Notes

Acknowledgements

Support from MICINN-Spain under contract No. MTM2012-39101 is gratefully acknowledged.

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Copyright information

© Springer-Verlag Berlin Heidelberg 2013

Authors and Affiliations

  • P. Benítez
    • 1
    Email author
  • J. C. Losada
    • 1
  • R. M. Benito
    • 1
  • F. Borondo
    • 2
  1. 1.Grupo de Sistemas Complejos, and Departamento de Física y Mecánica, Escuela Técnica Superior de Ingenieros AgrónomosUniversidad Politécnica de MadridMadridSpain
  2. 2.Departamento de Química, and Instituto de Ciencias Matemáticas (ICMAT)Universidad Autónoma de MadridMadridSpain

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