Sofia
Calero Díaz
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Utrecht University
Utrecht, HolandaPublikationen in Zusammenarbeit mit Forschern von Utrecht University (4)
2008
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Computing the heat of adsorption using molecular simulations: The effect of strong Coulombic interactions
Journal of Chemical Theory and Computation, Vol. 4, Núm. 7, pp. 1107-1118
2004
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Force field parametrization through fitting on inflection points in isotherms
Physical Review Letters, Vol. 93, Núm. 8
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United atom force field for alkanes in nanoporous materials
Journal of Physical Chemistry B, Vol. 108, Núm. 33, pp. 12301-12313
2003
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Simulating the effect of nonframework cations on the adsorption of alkanes in MFI-type zeolites
Journal of Physical Chemistry B, Vol. 107, Núm. 44, pp. 12088-12096