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Isotherms of Fluids in Native and Defective Zeolite and Alumino-Phosphate Crystals: Monte-Carlo Simulations with “On-the-Fly” ab initio Electrostatic Potential

X. Rozanska, P. Ungerer, B. Leblanc and M. Yiannourakou

Oil Gas Sci. Technol. – Rev. IFP Energies nouvelles, 68 2 (2013) 299-307

Published online: 05 April 2013

DOI: 10.2516/ogst/2012042

X. Rozanska

P. Ungerer

B. Leblanc

M. Yiannourakou

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