Simulating Relaxation Channels of CO2 in Clathrate Nano-cages

Journal of Physics: Conference Series 738 (2016) 012072
P. R. Dahoo1,2, R. Puig2, A. Lakhlifi3, C. Meis2,4 and J. D. Gale2,5
1 LATMOS /IPSL, UVSQ Université Paris-Saclay, UPMC Univ. Paris 06, CNRS, F-78280, Guyancourt, France.
2 CHAIR Materials Simulation and Engineering, UVSQ, Université Paris Saclay, 78035 Versailles Cedex, France.
3 Institut UTINAM-UMR 6213 CNRS- Université de Franche-Comté, Observatoire de Besançon, 25010 Besançon Cedex, France.
4 INSTN- CEA, Université Paris Saclay – 91191 Gif-sur-Yvette, France. 5 Nanochemistry Research Institute/Curtin Institute for Computation, Department of Chemistry, Curtin University, PO Box U1987, Perth, WA 6845, Australia.