| X-ray diffraction and computation yield the structure of alkanethiols on gold (111) A Cossaro, R Mazzarello, R Rousseau, L Casalis, A Verdini, A Kohlmeyer, ... Science 321 (5891), 943-946, 2008 | 339 | 2008 |
| Dynamic formation of single-atom catalytic active sites on ceria-supported gold nanoparticles YG Wang, D Mei, VA Glezakou, J Li, R Rousseau Nature communications 6 (1), 1-8, 2015 | 334 | 2015 |
| Thermally-driven processes on rutile TiO2 (1 1 0)-(1× 1): A direct view at the atomic scale Z Dohnálek, I Lyubinetsky, R Rousseau Progress in Surface Science 85 (5-8), 161-205, 2010 | 300 | 2010 |
| Synthesis, structure, and bonding in zirconocene primary phosphido (PHR-), phosphinidene (PR2-), and phosphide (P3-) derivatives J Ho, R Rousseau, DW Stephan Organometallics 13 (5), 1918-1926, 1994 | 297 | 1994 |
| The Role of Reducible Oxide–Metal Cluster Charge Transfer in Catalytic Processes: New Insights on the Catalytic Mechanism of CO Oxidation on Au/TiO2 from ab … YG Wang, Y Yoon, VA Glezakou, J Li, R Rousseau Journal of the American Chemical Society 135 (29), 10673-10683, 2013 | 289 | 2013 |
| Metal work-function changes induced by organic adsorbates: A combined experimental and theoretical study V De Renzi, R Rousseau, D Marchetto, R Biagi, S Scandolo, ... Physical review letters 95 (4), 046804, 2005 | 248 | 2005 |
| Structure of a Monolayer on Au(111) Solved by the Interplay between Molecular Dynamics Calculations and Diffraction Measurements R Mazzarello, A Cossaro, A Verdini, R Rousseau, L Casalis, ... Physical Review Letters 98 (1), 016102, 2007 | 236 | 2007 |
| Distribution of Ti3+ Surface Sites in Reduced TiO2 NA Deskins, R Rousseau, M Dupuis The Journal of Physical Chemistry C 115 (15), 7562-7572, 2011 | 229 | 2011 |
| Pulling monatomic gold wires with single molecules: an ab initio simulation D Krüger, H Fuchs, R Rousseau, D Marx, M Parrinello Physical review letters 89 (18), 186402, 2002 | 224 | 2002 |
| Defining the Role of Excess Electrons in the Surface Chemistry of TiO2 NA Deskins, R Rousseau, M Dupuis The Journal of Physical Chemistry C 114 (13), 5891-5897, 2010 | 211 | 2010 |
| First-principles study of phenol hydrogenation on Pt and Ni catalysts in aqueous phase Y Yoon, R Rousseau, RS Weber, D Mei, JA Lercher Journal of the American Chemical Society 136 (29), 10287-10298, 2014 | 208 | 2014 |
| Water-Lean Solvents for Post-Combustion CO2 Capture: Fundamentals, Uncertainties, Opportunities, and Outlook DJ Heldebrant, PK Koech, VA Glezakou, R Rousseau, D Malhotra, ... Chemical reviews 117 (14), 9594-9624, 2017 | 205 | 2017 |
| Ethanol synthesis from syngas over Rh-based/SiO2 catalysts: A combined experimental and theoretical modeling study D Mei, R Rousseau, SM Kathmann, VA Glezakou, MH Engelhard, ... Journal of Catalysis 271 (2), 325-342, 2010 | 192 | 2010 |
| Localized Electronic States from Surface Hydroxyls and Polarons in TiO2(110) NA Deskins, R Rousseau, M Dupuis The Journal of Physical Chemistry C 113 (33), 14583-14586, 2009 | 191 | 2009 |
| Interaction of short-chain alkane thiols and thiolates with small gold clusters: Adsorption structures and energetics D Krüger, H Fuchs, R Rousseau, D Marx, M Parrinello The Journal of Chemical Physics 115 (10), 4776-4786, 2001 | 157 | 2001 |
| CO Oxidation on Au/TiO2: Condition-Dependent Active Sites and Mechanistic Pathways YG Wang, DC Cantu, MS Lee, J Li, VA Glezakou, R Rousseau Journal of the American Chemical Society 138 (33), 10467-10476, 2016 | 141 | 2016 |
| Inducing desorption of organic molecules with a scanning tunneling microscope: Theory and experiments S Alavi, R Rousseau, SN Patitsas, GP Lopinski, RA Wolkow, T Seideman Physical review letters 85 (25), 5372, 2000 | 136 | 2000 |
| Atomistic simulation of water percolation and proton hopping in Nafion fuel cell membrane R Devanathan, A Venkatnathan, R Rousseau, M Dupuis, T Frigato, W Gu, ... The Journal of Physical Chemistry B 114 (43), 13681-13690, 2010 | 128 | 2010 |
| Structural principles and amorphouslike thermal conductivity of Na-doped Si clathrates JS Tse, K Uehara, R Rousseau, A Ker, CI Ratcliffe, MA White, G MacKay Physical Review Letters 85 (1), 114, 2000 | 122 | 2000 |
| The role of pendant amines in the breaking and forming of molecular hydrogen catalyzed by nickel complexes S Raugei, S Chen, MH Ho, B Ginovska‐Pangovska, RJ Rousseau, ... Chemistry–A European Journal 18 (21), 6493-6506, 2012 | 115 | 2012 |
Vassiliki-Alexandra (Vanda) GlezakouDistinguished Scientist, ORNLVerified email at ornl.gov
