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International Journal of Photoenergy
Volume 2014, Article ID 541791, 9 pages
Research Article

Detailed Molecular Dynamics of the Photochromic Reaction of Spiropyran: A Semiclassical Dynamics Study

1Key Laboratory of Synthetic and Natural Functional Molecule Chemistry of Ministry of Education, College of Chemistry & Materials Science and Shaanxi Key Laboratory of Physico-Inorganic Chemistry, Northwest University, Xi’an 710069, China
2Department of Physical Sciences, Nicholls State University, P.O. Box 2022, Thibodaux, LA 70310, USA

Received 10 April 2014; Accepted 20 May 2014; Published 17 June 2014

Academic Editor: Fuli Li

Copyright © 2014 Gaohong Zhai et al. 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.

Supplementary Material

All the typical simulation trajectories of paths for the model compounds of SP with the photo exciations are displayed on the supporting information from Figure S1 to S7, corresponding to the cleavage of C1−O bond in Figure S1, the cleavage and then recovery of C1−C3 bond in Figure S2, the dissociations of C1−N, C1−C2 and C1−C3 bonds in Figure S3-S5, the isomerizations of mSPc and mSPt in Figure S6 and S7, respectively.

  1. Supplementary Material