Gerard Novell Leruth
AuthID: R-001-0HA
11
TITLE: On the properties of binary rutile MO2 compounds, M = Ir, Ru, Sn, and Ti: A DFT study
AUTHORS: Novell Leruth, G; Carchini, G; Lopez, N;
PUBLISHED: 2013, SOURCE: Journal of Chemical Physics, VOLUME: 138, ISSUE: 19
AUTHORS: Novell Leruth, G; Carchini, G; Lopez, N;
PUBLISHED: 2013, SOURCE: Journal of Chemical Physics, VOLUME: 138, ISSUE: 19
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ORCID12
TITLE: On the properties of binary rutile MO2 compounds, M = Ir, Ru, Sn, and Ti: A DFT study Full Text
AUTHORS: Gerard Novell-Leruth; Giuliano Carchini; Núria López;
PUBLISHED: 2013, SOURCE: The Journal of Chemical Physics - J. Chem. Phys., VOLUME: 138, ISSUE: 19
AUTHORS: Gerard Novell-Leruth; Giuliano Carchini; Núria López;
PUBLISHED: 2013, SOURCE: The Journal of Chemical Physics - J. Chem. Phys., VOLUME: 138, ISSUE: 19
13
TITLE: An integrated approach to Deacon chemistry on RuO 2-based catalysts Full Text
AUTHORS: Teschner, D; Farra, R; Yao, L; Schlogl, R; Soerijanto, H; Schomacker, R; Schmidt, T; Szentmiklosi, L; Amrute, AP; Mondelli, C; Perez Ramirez, J; Novell Leruth, G; Lopez, N;
PUBLISHED: 2012, SOURCE: Journal of Catalysis, VOLUME: 285, ISSUE: 1
AUTHORS: Teschner, D; Farra, R; Yao, L; Schlogl, R; Soerijanto, H; Schomacker, R; Schmidt, T; Szentmiklosi, L; Amrute, AP; Mondelli, C; Perez Ramirez, J; Novell Leruth, G; Lopez, N;
PUBLISHED: 2012, SOURCE: Journal of Catalysis, VOLUME: 285, ISSUE: 1
14
TITLE: Performance, structure, and mechanism of CeO 2 in HCl oxidation to Cl 2 Full Text
AUTHORS: Amrute, AP; Mondelli, C; Moser, M; Novell Leruth, G; Lopez, N; Rosenthal, D; Farra, R; Schuster, ME; Teschner, D; Schmidt, T; Perez Ramirez, J;
PUBLISHED: 2012, SOURCE: Journal of Catalysis, VOLUME: 286
AUTHORS: Amrute, AP; Mondelli, C; Moser, M; Novell Leruth, G; Lopez, N; Rosenthal, D; Farra, R; Schuster, ME; Teschner, D; Schmidt, T; Perez Ramirez, J;
PUBLISHED: 2012, SOURCE: Journal of Catalysis, VOLUME: 286
15
TITLE: In situ surface coverage analysis of RuO 2-catalysed HCl oxidation reveals the entropic origin of compensation in heterogeneous catalysis Full Text
AUTHORS: 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;
PUBLISHED: 2012, SOURCE: Nature Chemistry, VOLUME: 4, ISSUE: 9
AUTHORS: 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;
PUBLISHED: 2012, SOURCE: Nature Chemistry, VOLUME: 4, ISSUE: 9
16
TITLE: State-of-the-art and challenges in theoretical simulations of heterogeneous catalysis at the microscopic level
AUTHORS: Núria López; Neyvis Almora-Barrios; Giuliano Carchini; Piotr Błoński; Luca Bellarosa; Rodrigo García-Muelas; Gerard Novell-Leruth; Mónica García-Mota;
PUBLISHED: 2012, SOURCE: Catal. Sci. Technol. - Catalysis Science & Technology, VOLUME: 2, ISSUE: 12
AUTHORS: Núria López; Neyvis Almora-Barrios; Giuliano Carchini; Piotr Błoński; Luca Bellarosa; Rodrigo García-Muelas; Gerard Novell-Leruth; Mónica García-Mota;
PUBLISHED: 2012, SOURCE: Catal. Sci. Technol. - Catalysis Science & Technology, VOLUME: 2, ISSUE: 12
17
TITLE: A density functional theory study of the 'mythic' Lindlar hydrogenation catalyst Full Text
AUTHORS: Garcia Mota, M; Gomez Diaz, J; Novell Leruth, G; Vargas Fuentes, C; Bellarosa, L; Bridier, B; Perez Ramirez, J; Lopez, N;
PUBLISHED: 2011, SOURCE: Theoretical Chemistry Accounts, VOLUME: 128, ISSUE: 4
AUTHORS: Garcia Mota, M; Gomez Diaz, J; Novell Leruth, G; Vargas Fuentes, C; Bellarosa, L; Bridier, B; Perez Ramirez, J; Lopez, N;
PUBLISHED: 2011, SOURCE: Theoretical Chemistry Accounts, VOLUME: 128, ISSUE: 4
INDEXED IN: Scopus
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ORCID18
TITLE: Theoretical simulation of temperature programmed desorption of molecular oxygen on isolated au nanoparticles from density functional calculations and microkinetics model
AUTHORS: Roldan, A; Novell, G; Ricart, JM; Illas, F;
PUBLISHED: 2010, SOURCE: Journal of Physical Chemistry C, VOLUME: 114, ISSUE: 11
AUTHORS: Roldan, A; Novell, G; Ricart, JM; Illas, F;
PUBLISHED: 2010, SOURCE: Journal of Physical Chemistry C, VOLUME: 114, ISSUE: 11
INDEXED IN: Scopus
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ORCID19
TITLE: Rules for selectivity in oxidation processes on RuO2(110) Full Text
AUTHORS: Lopez, N; Novell Leruth, G;
PUBLISHED: 2010, SOURCE: Physical Chemistry Chemical Physics, VOLUME: 12, ISSUE: 38
AUTHORS: Lopez, N; Novell Leruth, G;
PUBLISHED: 2010, SOURCE: Physical Chemistry Chemical Physics, VOLUME: 12, ISSUE: 38
INDEXED IN: Scopus
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ORCID20
TITLE: Theoretical Simulation of Temperature Programmed Desorption of Molecular Oxygen on Isolated Au Nanoparticles from Density Functional Calculations and Microkinetics Models
AUTHORS: Alberto Roldán; Gerard Novell; Josep M Ricart; Francesc Illas;
PUBLISHED: 2010, SOURCE: J. Phys. Chem. C - The Journal of Physical Chemistry C, VOLUME: 114, ISSUE: 11
AUTHORS: Alberto Roldán; Gerard Novell; Josep M Ricart; Francesc Illas;
PUBLISHED: 2010, SOURCE: J. Phys. Chem. C - The Journal of Physical Chemistry C, VOLUME: 114, ISSUE: 11
