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Int. J. Mol. Sci. 2013, 14(3), 5250-5263; doi:10.3390/ijms14035250
Article

The Study of Dynamical Potentials of Highly Excited Vibrational States of HOBr

1,2
, 3
, 3,*  and 1
Received: 24 December 2012; in revised form: 31 January 2013 / Accepted: 8 February 2013 / Published: 5 March 2013
(This article belongs to the Section Biochemistry, Molecular Biology and Biophysics)
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Abstract: The vibrational nonlinear dynamics of HOBr in the bending and O–Br stretching coordinates with anharmonicity and Fermi 2:1 coupling are studied with dynamical potentials in this article. The result shows that the H–O stretching vibration mode has significantly different effects on the coupling between the O–Br stretching mode and the H–O–Br bending mode under different Polyad numbers. The dynamical potentials and the corresponding phase space trajectories are obtained when the Polyad number is 27, for instance, and the fixed points in the dynamical potentials of HOBr are shown to govern the various quantal environments in which the vibrational states lie. Furthermore, it is also found that the quantal environments could be identified by the numerical values of action integrals, which is consistent with former research.
Keywords: HOBr; highly excited vibrational state; geometrical shape of dynamical potential; phase space trajectory HOBr; highly excited vibrational state; geometrical shape of dynamical potential; phase space trajectory
This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

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MDPI and ACS Style

Wang, A.; Sun, L.; Fang, C.; Liu, Y. The Study of Dynamical Potentials of Highly Excited Vibrational States of HOBr. Int. J. Mol. Sci. 2013, 14, 5250-5263.

AMA Style

Wang A, Sun L, Fang C, Liu Y. The Study of Dynamical Potentials of Highly Excited Vibrational States of HOBr. International Journal of Molecular Sciences. 2013; 14(3):5250-5263.

Chicago/Turabian Style

Wang, Aixing; Sun, Lifeng; Fang, Chao; Liu, Yibao. 2013. "The Study of Dynamical Potentials of Highly Excited Vibrational States of HOBr." Int. J. Mol. Sci. 14, no. 3: 5250-5263.



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