Adsorption of hydrogen and methane on intrinsic and alkali metal cations-doped Zn2(NDC)2(diPyTz) metal–organic framework using GCMC simulations
Author:
Funder
university of Mazandaran
Publisher
Springer Science and Business Media LLC
Subject
Surfaces and Interfaces,General Chemical Engineering,General Chemistry
Link
http://link.springer.com/content/pdf/10.1007/s10450-016-9765-1.pdf
Reference61 articles.
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4. Bushnell, J.E., Kemper, P.R., Bowers, M.T.: Na+/K+·(H2) 1,2 clusters: binding energies from theory and experiment. J. Phys. Chem. 98, 2044–2049 (1994)
5. Campaná, C., Mussard, B., Woo, T.K.: Electrostatic potential derived atomic charges for periodic systems using a modified error functional. J. Chem. Theory Comput. 5, 2866–2878 (2009)
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