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2013
Accounting for van der Waals interactions between adsorbates and surfaces in density functional theory based calculations: selected examples
Prates Ramalho, Joao P.
;
Gomes, Jose R. B.
;
Illas, Francesc
article
2014
Understanding the reactivity of metallic nanoparticles: beyond the extended surface model for catalysis
Vines, Francesc
;
Gomes, Jose R. B.
;
Illas, Francesc
article
2015
Turning periodic mesoporous organosilicas selective to CO2/CH4 separation: deposition of aluminium oxide by atomic layer deposition
Lourenco, Mirtha A. O.
;
Silva, Ricardo M.
;
Silva, Rui F.
;
Pinna, Nicola
;
Pronier, Stephane
;
Pires, Joao
;
Gomes, Jose R. B.
;
Pintof, Moises L.
;
Ferreira, Paula
article
2015
A density functional theory study on the interaction of paraffins, olefins, and acetylenes with Na-ETS-10
Pillai, Renjith S.
;
Jorge, Miguel
;
Gomes, Jose R. B.
article
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Author
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Illas, Francesc
1
Ferreira, Paula
1
Jorge, Miguel
1
Lourenco, Mirtha A. O.
1
Pillai, Renjith S.
1
Pinna, Nicola
1
Pintof, Moises L.
1
Pires, Joao
1
Prates Ramalho, Joao P.
1
Pronier, Stephane
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Subject
2
EXCHANGE
1
CARBON-DIOXIDE
1
CLUSTERS
1
CO
1
CO2 CAPTURE
1
CUBTC MOF
1
DFT CALCULATIONS
1
ETHANE
1
FUNCTIONALIZATION
1
GENERALIZED GRADIENT APPROXIMATION
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Date issued
2
2015
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2014
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2013