Roger Rousseau

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Citazioni	8734	3817
Indice H	54	33
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Vassiliki-Alexandra (Vanda) GlezakouChief Scientist, PNNLEmail verificata su pnnl.gov
Zdenek DohnalekScientist, PNNLEmail verificata su pnnl.gov
Mal-Soon LeeSenior Scientist, Pacific Northwest National LaboratoryEmail verificata su pnnl.gov
David C. CantuUniversity of Nevada, RenoEmail verificata su unr.edu
Donghai MeiSchool of Environmental Science and Engineering, Tiangong UniversityEmail verificata su tiangong.edu.cn
Enric CanadellInstitut de Ciència de Materials de Barcelona (ICMAB-CSIC)Email verificata su icmab.es
Bruce KayPNNLEmail verificata su pnnl.gov
Manh-Thuong NguyenPacific Northwest National LaboratoryEmail verificata su pnnl.gov
Yang-Gang WangAssociate Professor of Chemistry, Southern University of Science and TechnologyEmail verificata su sustc.edu.cn
Sandro ScandoloICTP, Trieste, ItalyEmail verificata su ictp.it
Yeohoon YoonPacific Northwest National LaboratoryEmail verificata su pnnl.gov
Phillip K. KoechScientist, Pacific Northwest National LabEmail verificata su pnnl.gov
David HeldebrantChief Scientist, Pacific Northwest National LaboratoryEmail verificata su pnnl.gov
Deepika MalhotraPacific Northwest National Laboratory (PNNL)Email verificata su pnnl.gov
Jun LI (李隽)Professor of Chemistry, Tsinghua UniversityEmail verificata su tsinghua.edu.cn
R. Morris BullockPacific Northwest National LaboratoryEmail verificata su pnnl.gov
Johannes LercherTU München, Pacific Northwest National LaboratoryEmail verificata su ch.tum.de
Simone RaugeiPacific Northwest National LaboratoryEmail verificata su pnnl.gov
John S. TseUniversity of SaskatchewanEmail verificata su usask.ca
Axel KohlmeyerAssistant Dean for HPC, College of Science and Technology, Temple UniversityEmail verificata su temple.edu

Roger Rousseau

PNNL, Physical and Computational Sciences Directorate, Physical Sciences Division, BAMF Group

Email verificata su pnnl.gov - Home page

Theoryy and Computation Surface Science Catalysis


Titolo Ordina per citazioni Ordina per anno Ordina per titolo	Citata da Citata da	Anno
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	319	2008
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	281	2010
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	256	2015
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	238	2005
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	232	2013
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	229	2007
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	213	2002
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	198	2011
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	197	2010
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	176	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	167	2009
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	163	2014
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	158	2001
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	125	2000
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	117	2000
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	114	2017
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	113	2010
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	110	2016
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	104	2012
Hydrogen oxidation catalysis by a nickel diphosphine complex with pendant tert-butyl amines JY Yang, S Chen, WG Dougherty, WS Kassel, RM Bullock, DL DuBois, ... Chemical Communications 46 (45), 8618-8620, 2010	99	2010

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