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2014
Energetics and Reactivity of Morpholine and Thiomorpholine: A Joint Experimental and Computational Study
Freitas, Vera L. S.
;
Gomes, Jose R. B.
;
Ribeiro da Silva, Maria D. M. C.
article
2014
Characterization of systems of thiophene and benzene with ionic liquids
Batista, Marta L. S.
;
Tome, Luciana I. N.
;
Neves, Catarina M. S. S.
;
Gomes, Jose R. B.
;
Coutinho, Joao A. P.
article
2014
Interaction of chitosan and chitin with Ni, Cu and Zn ions: A computational study
Gomes, Jose R. B.
;
Jorge, Miguel
;
Gomes, Paula
article
2014
Computational approaches to study adsorption in MOFs with unsaturated metal sites
Fischer, Michael
;
Gomes, Jose R. B.
;
Jorge, Miguel
article
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
2014
\"Washing-out\" ionic liquids from polyethylene glycol to form aqueous biphasic systems
Tome, Luciana I. N.
;
Pereira, Jorge F. B.
;
Rogers, Robin D.
;
Freire, Mara G.
;
Gomes, Jose R. B.
;
Coutinho, Joao A. P.
article
2014
Structural, energetic and reactivity properties of phenoxazine and phenothiazine
Freitas, Vera L. S.
;
Gomes, Jose R. B.
;
Ribeiro da Silva, Maria D. M. C.
article
2014
Understanding the reactivity of metallic nanoparticles: beyond the extended surface model for catalysis
Vines, Francesc
;
Gomes, Jose R. B.
;
Illas, Francesc
article
2014
Evidence for the Interactions Occurring Between Ionic Liquids and Tetraethylene Glycol in Binary Mixtures and Aqueous Biphasic Systems
Tome, Luciana I. N.
;
Pereira, Jorge F. B.
;
Rogers, Robin D.
;
Freire, Mara G.
;
Gomes, Jose R. B.
;
Coutinho, Joao A. P.
article
2014
Accurate Model for Predicting Adsorption of Olefins and Paraffins on MOFs with Open Metal Sites
Jorge, Miguel
;
Fischer, Michael
;
Gomes, Jose R. B.
;
Siquet, Christophe
;
Santos, Joao C.
;
Rodrigues, Alirio E.
article
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Jorge, Miguel
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3
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2
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Subject
2
2-PHASE SYSTEMS
2
AB-INITIO
2
AUGMENTED-WAVE METHOD
2
BASIS-SET
2
CARBON-DIOXIDE
2
COMBUSTION
2
DERIVATIVES
2
ENERGIES
2
ENTHALPIES
2
EXTRACTION
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