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2014
Generalized Bronsted-Evans-Polanyi relationships and descriptors for O-H bond cleavage of organic molecules on transition metal surfaces
Fajin, Jose L. C.
;
Cordeiro, M. Natalia D. S.
;
Illas, Francesc
;
Gomes, Jose R. B.
article
2015
Understanding Gas Adsorption Selectivity in IRMOF-8 Using Molecular Simulation
Pillai, Renjith S.
;
Pinto, Moises L.
;
Pires, Joao
;
Jorge, Miguel
;
Gomes, Jose R. B.
article
2016
Molecular dynamics simulation of diffusion coefficients and structural properties of ketones in supercritical CO2 at infinite dilution
Vaz, Raquel V.
;
Gomes, Jose R. B.
;
Silva, Carlos M.
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
2014
Interaction of atmospheric gases with ETS-10: A DFT study
Pillai, Renjith S.
;
Jorge, Miguel
;
Gomes, Jose R. B.
article
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Jorge, Miguel
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Pillai, Renjith S.
2
Pires, Joao
1
Cordeiro, M. Natalia D. S.
1
Fajin, Jose L. C.
1
Ferreira, Paula
1
Illas, Francesc
1
Lourenco, Mirtha A. O.
1
Pinna, Nicola
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Pinto, Moises L.
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Subject
2
LANDFILL GAS
1
AB-INITIO
1
ADSORPTION
1
ATOM FORCE-FIELD
1
AUGMENTED-WAVE METHOD
1
BASIS-SET
1
CO2
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1
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Date issued
1
2016
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2014