Publicações
CORDATA: an open data management web application to select corrosion inhibitors
Galvao, TLP; Ferreira, I; Kuznetsova, A; Novell-Leruth, G; Song, C; Feiler, C; Lamaka, SV; Rocha, C; Maia, F; Zheludkevich, ML; Gomes, JRB; Tedim, J
2022, NPJ MATERIALS DEGRADATION, 6, 1.
On the properties of binary rutile MO2 compounds, M = Ir, Ru, Sn, and Ti: A DFT study
Novell-Leruth, G; Carchini, G; Lopez, N
2013, JOURNAL OF CHEMICAL PHYSICS, 138, 19.
In situ surface coverage analysis of RuO2-catalysed HCl oxidation reveals the entropic origin of compensation in heterogeneous catalysis
Teschner, D; Novell-Leruth, G; Farra, R; Knop-Gericke, A; Schlogl, R; Szentmiklosi, L; Hevia, MG; Soerijanto, H; Schomacker, R; Perez-Ramirez, J; Lopez, N
2012, NATURE CHEMISTRY, 4, 9, 739-745.
Performance, structure, and mechanism of CeO2 in HCl oxidation to Cl-2
Amrute, AP; Mondelli, C; Moser, M; Novell-Leruth, G; Lopez, N; Rosenthal, D; Farra, R; Schuster, ME; Teschner, D; Schmidt, T; Perez-Ramirez, J
2012, JOURNAL OF CATALYSIS, 286, 287-297.
An integrated approach to Deacon chemistry on RuO2-based catalysts
Teschner, D; Farra, R; Yao, LD; Schlogl, R; Soerijanto, H; Schomacker, R; Schmidt, T; Szentmiklosi, L; Amrute, AP; Mondelli, C; Perez-Ramirez, J; Novell-Leruth, G; Lopez, N
2012, JOURNAL OF CATALYSIS, 285, 1, 273-284.
State-of-the-art and challenges in theoretical simulations of heterogeneous catalysis at the microscopic level
Lopez, N; Almora-Barrios, N; Carchini, G; Blonski, P; Bellarosa, L; Garcia-Muelas, R; Novell-Leruth, G; Garcia-Mota, M
2012, CATALYSIS SCIENCE & TECHNOLOGY, 2, 12, 2405-2417.
A density functional theory study of the 'mythic' Lindlar hydrogenation catalyst
Garcia-Mota, M; Gomez-Diaz, J; Novell-Leruth, G; Vargas-Fuentes, C; Bellarosa, L; Bridier, B; Perez-Ramirez, J; Lopez, N
2011, THEORETICAL CHEMISTRY ACCOUNTS, 128, 4-6, 663-673.
Rules for selectivity in oxidation processes on RuO2(110)
Lopez, N; Novell-Leruth, G
2010, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 12, 38, 12217-12222.
Mechanism of ammonia oxidation over PGM (Pt, Pd, Rh) wires by temporal analysis of products and density functional theory
Perez-Ramirez, J; Kondratenko, EV; Novell-Leruth, G; Ricart, JM
2009, JOURNAL OF CATALYSIS, 261, 2, 217-223.
Pt(100)-catalyzed ammonia oxidation studied by DFT: Mechanism and microkinetics
Novell-Leruth, G; Ricart, JM; Perez-Ramirez, J
2008, JOURNAL OF PHYSICAL CHEMISTRY C, 112, 35, 13554-13562.
