Analysis of the Full Vibrational Dynamics of the LiNC/LiCN Molecular System
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.
KeywordsReference Trajectory Deviation Vector Stable Isomer Minimum Energy Path Vibrational Dynamic
Support from MICINN-Spain under contract No. MTM2012-39101 is gratefully acknowledged.
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