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ACS Applied Materials & Interfaces, ISSN 1944-8244, 05/2020
Journal Article
JOURNAL OF PHYSICAL CHEMISTRY A, ISSN 1089-5639, 02/2020, Volume 124, Issue 8, pp. 1580 - 1592
Using density functional theory (DFT), we studied the catalytic activity of iron oxide nanoclusters that mimic the structure of the active site in the soluble... 
H BOND ACTIVATION | NITROUS-OXIDE | AUXILIARY BASIS-SETS | BENZENE HYDROXYLATION | SELECTIVE OXIDATION | METAL-ORGANIC FRAMEWORKS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | 2-STEP CONCERTED MECHANISM | DENSITY-FUNCTIONAL THEORY | ATOMIC LAYER DEPOSITION | TRICOPPER CLUSTER
Journal Article
ACS CATALYSIS, ISSN 2155-5435, 01/2020, Volume 10, Issue 2, pp. 1460 - 1469
The modular structure of metal organic frameworks (MOFs) makes them promising platforms for catalyst design and for elucidating structure/performance... 
AUXILIARY BASIS-SETS | MECHANISM | CONVERSION | BUILDING-BLOCKS | C-H bond activation | CHEMISTRY, PHYSICAL | CYCLOHEXANE | metal-organic frameworks | oxidative dehydrogenation | H BOND ACTIVATION | METHANE | structure-function relationships | density functional theory | SITES | oxidation catalysis | PCN-250 | QUANTUM-CHEMICAL CHARACTERIZATION
Journal Article
by Heino, Anna and Gissler, Mika and Hindori-Mohangoo, Ashna D and Blondel, Béatrice and Klungsøyr, Kari and Verdenik, Ivan and Mierzejewska, Ewa and Velebil, Petr and Ólafsdóttir, Helga Sól and Macfarlane, Alison and Zeitlin, Jennifer and Haidinger, Gerald and Alexander, Sophie and Pavlou, Pavlos and Mortensen, Laust and Sakkeus, Luule and Lack, Nicholas and Antsaklis, Aris and Berbik, Istvan and Bonham, Sheelagh and Cuttini, Marina and Misins, Janis and Jaselioniene, Jone and Wagener, Yolande and Gatt, Miriam and Nijhuis, Jan and Van Der Pal, Karin and Klungsøyr, Kari and Szamotulska, Katarzyna and Barros, Henrique and Horga, Mihai and Cap, Jan and Mandić, Natasa Tul and Bolúmar, Francisco and Gottvall, Karin and Berrut, Sylvie and Klimont, Jeannette and Zhang, Wei-Hong and Dramaix-Wilmet, Michèle and Van Humbeeck, Mélissa and Leroy, Charlotte and Minsart, Anne-Frédérique and Van Leeuw, Virginie and Martens, Evelyne and De Spiegelaere, Myriam and Verkruyssen, Freddy and Willems, Michel and Aelvoet, Willem and Tafforeau, Jean and Renard, Francoise and Walckiers, Denise and Cuignet, Deborah and Demoulin, Philippe and Cloots, Heidi and Hendrickx, Erik and Kongs, Anne and Stylianou, Despina and Kyprianou, Theopisti and Skordes, Nicos and Roos, Jens Langhoff and Anderson, Anne-Marie Nybo and Mortensen, Laust Hvas and Ritvanen, Annukka and Colle, Marie-Hélène Bouvier and Ego, Anne and Rey, Grégoire and Heller, Guenther and Scharl, Anton and Drakakis, Peter and Bjarnadottir, Ragnheidur I and Hardardóttir, Hildur and Ragnarsdóttir, Brynja and Stefánsdóttir, Vigdís and Haraldsdóttir, Sigrídur and Mulligan, Aisling and Tamburini, Cristina and Boldrini, Rosaria and Prati, Sabrina and Loghi, Marzia and Castagnaro, Cinzia and Marchetti, Stefano and Burgio, Alessandra and Da Frè, Monica and Zile, Irisa and Isakova, Jelena and Gaidelyte, Rita and Jaselione, Jone and Billy, Audrey and Touvrey-Lecomte, Aline and Van Der, Karin and De Bruin, Pal and Achterberg, Peter and Hukkelhoven, Chantal and De Winter, Ger and Ravelli, Anita and Rijninks-Van Driel, Greta and Tamminga, Pieter and Groesz, Martin and Elferink-Stinkens, Patty and Osen, Arild and ... and Euro-Peristat Sci Comm and Euro-Peristat Scientific Committee
PLoS ONE, ISSN 1932-6203, 03/2016, Volume 11, Issue 3, p. e0149252
Journal Article
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