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Challenges for Kinetics Predictions via Neural Network Potentials: A Wilkinson's Catalyst Case
by
Staub, Ruben
,
Gantzer, Philippe
,
Harabuchi, Yu
,
Maeda, Satoshi
,
Varnek, Alexandre
Published in
Molecules (Basel, Switzerland)
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DockOnSurf: A Python Code for the High-Throughput Screening of Flexible Molecules Adsorbed on Surfaces
by
Martí, Carles
,
Blanck, Sarah
,
Staub, Ruben
,
Loehlé, Sophie
,
Michel, Carine
,
Steinmann, Stephan N
Published in
Journal of chemical information and modeling
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Efficient recursive least squares solver for rank-deficient matrices
by
Staub, Ruben
,
Steinmann, Stephan N.
Published in
Applied mathematics and computation
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Parameter-free coordination numbers for solutions and interfaces
by
Staub, Ruben
,
Steinmann, Stephan N.
Published in
The Journal of chemical physics
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Chemography‐guided analysis of a reaction path network for ethylene hydrogenation with a model Wilkinson's catalyst
by
Gantzer, Philippe
,
Staub, Ruben
,
Harabuchi, Yu
,
Maeda, Satoshi
,
Varnek, Alexandre
Published in
Molecular informatics
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Water adlayers on noble metal surfaces: Insights from energy decomposition analysis
by
Clabaut, Paul
,
Staub, Ruben
,
Galiana, Joachim
,
Antonetti, Elise
,
Steinmann, Stephan N.
Published in
The Journal of chemical physics
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Designing Active Sites for Structure-Sensitive Reactions via the Generalized Coordination Number: Application to Alcohol Dehydrogenation
by
Kaźmierczak, Kamila
,
Clabaut, Paul
,
Staub, Ruben
,
Perret, Noémie
,
Steinmann, Stephan N
,
Michel, Carine
Published in
Journal of physical chemistry. C
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Energy Decomposition Analysis for Metal Surface–Adsorbate Interactions by Block Localized Wave Functions
by
Staub, Ruben
,
Iannuzzi, Marcella
,
Khaliullin, Rustam Z
,
Steinmann, Stephan N
Published in
Journal of chemical theory and computation
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Efficient recursive least squares solver for rank-deficient matrices
by
Staub, Ruben
,
Steinmann, Stephan N
Published in
arXiv.org
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Mindful eating and common diet programs lower body weight similarly: Systematic review and meta‐analysis
by
Fuentes Artiles, Ruben
,
Staub, Kaspar
,
Aldakak, Lafi
,
Eppenberger, Patrick
,
Rühli, Frank
,
Bender, Nicole
Published in
Obesity reviews
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International Union of Angiology (IUA) consensus paper on imaging strategies in atherosclerotic carotid artery imaging: From basic strategies to advanced approaches
by
Saba, Luca
,
Antignani, Pier Luigi
,
Gupta, Ajay
,
Cau, Riccardo
,
Paraskevas, Kosmas I.
,
Poredos, Pavel
,
Wasserman, Bruce A.
,
Kamel, Hooman
,
Avgerinos, Efthymios D.
,
Salgado, Rodrigo
,
Caobelli, Federico
,
Aluigi, Leonardo
,
Savastano, Luis
,
Brown, Martin
,
Hatsukami, Tom
,
Hussein, Emad
,
Suri, Jasjit S.
,
Mansilha, Armado
,
Wintermark, Max
,
Staub, Daniel
,
Montequin, Jose Fernandes
,
Rodriguez, Ruben Tomas Toro
,
Balu, Niranjan
,
Pitha, Jan
,
Kooi, M. Eline
,
Lal, Brajesh K.
,
Spence, J. David
,
Lanzino, Giuseppe
,
Marcus, Hugh Stephen
,
Mancini, Marcello
,
Chaturvedi, Seemant
,
Blinc, Ales
Published in
Atherosclerosis
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Implementation of a centralized pharmacovigilance system in academic pan‐European clinical trials: Experience from EU‐Response and conect4children consortia
by
Terzić, Vida
,
Figarella, Mélanie
,
Mercier, Noémie
,
De Gastines, Lucie
,
Gibowski, Séverine
,
Trøseid, Marius
,
Demotes, Jacques
,
Olsen, Inge Christoffer
,
Hites, Maya
,
Ader, Florence
,
Lopez, José Ramón Arribas
,
Mentré, France
,
Espérou, Hélène
,
Røttingen, John‐Arne
,
Poissy, Julien
,
Rozé, Jean‐Christophe
,
Warris, Adilia
,
O'Leary, Jackie
,
Fernandes, Ricardo M.
,
Assoumou, Lambert
,
Hankard, Regis
,
Turner, Mark A.
,
Yazdanpanah, Yazdan
,
Diallo, Alpha
,
Trøseid, Marius
,
Holten, Aleksander Rygh
,
Barratt‐Due, Andreas
,
Olsen, Inge Christoffer
,
Westerheim, Elin
,
Colban, Martha
,
Tonby, Kristian
,
Poissy, Julien
,
Peiffer‐Smadja, Nathan
,
Eustace, Joe
,
Keane, Ruben E.
,
Arribàs, José R.
,
Garcia, Irene
,
Mazzaferri, Fulvia
,
Hites, Maya
,
Grimaldi, David
,
Reuter, Jean
,
Staub, Therese
,
Berchem, Guy
,
Delmas, Christelle
,
Fougerou‐Leurent, Claire
,
Ferrane, Assia
,
Beniguel, Lydie
,
Baldé, Aliou
,
Costagliola, Dominique
,
Belhadi, Drifa
,
Dechanet, Aline
,
Del Alamo, Marta
,
Ader, Florence
,
Luz, Filipa
,
Greil, Richard
,
Keuschnig, Alexandra
,
Hajdu, Edit
,
Halanova, Monika
,
Troníčková, Radka
,
Trojanek, Milan
,
Nerušilová, Katerina
,
Piekarska, Anna
,
Wiesner, Agnieszka
,
Bano, Jesus
,
Tsiodras, Sotirios
,
Ladenstein, Ruth
,
Johan, Vande Walle
,
Degraeuwe, Eva
,
Kvamme, Anne Mathilde H.
,
Rajasaar, Héli
,
Papazisis, Georgios
,
László, Bálint
,
O'cleary, Jackie
,
Bigagli, Elisabetta
,
Ryszard, Sot
,
Sousa, Catarina
,
Rodríguez‐Tenreiro, Carmen
,
Kindblom, Jenny
,
Ruegger, Christoph
,
Geest, Tessa
,
Bruggemann, Roger
,
Neubert, Antje
,
Rozé, Jean‐Christophe
,
Drouard, Anne
,
Espérou, Hélène
,
Dumousseaux, Marina
,
Moal, Anaelle
,
Michon, Amelie
,
Bouazza, Naim
,
Ursino, Moreno
,
Hervé, Magali
,
Boussaha, Inesse
,
Lozano, Helene
,
Gueyffier, Francois
,
Dilo, Ana
,
Negrini, Anna
,
Di Maggio, Lucia
,
Rocchi, Francesca
,
Polikar, Betty
,
Warris, Adilia
Published in
British journal of clinical pharmacology
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