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71 research outputs found

Two Gold Surfaces and a Cluster with Remarkable Reactivity for CO Oxidation, a Density Functional Theory Study

Author: A Hussain
A Roldan
A Roldan
A. Hussain
A. J. Muller
B Hvolbaek
B. E. Nieuwenhuys
C Xu
CM Wang
CP Vinod
CP Vinod
E Quinet
F Boccuzzi
G Henkelman
G Kresse
G Kresse
G Mills
GC Wang
HJ Monkhorst
J Guzman
J. M. Gracia
J. W. Niemantsverdriet
JA Bokhoven van
JC Fierro-Gonzalez
JD Head
JH Huang
JL Gong
JLC Fajin
JLC Fajin
JP Perdew
KP Huber
LM Liu
M Chen
M Date
M Date
M Haruta
M Haruta
M Mavrikakis
M Methfessel
M Mihaylov
M Valden
MC Kung
N Lopez
N Weiher
P Pulay
PE Blochl
PL Silvestrelli
Q Fu
RB Getman
RFW Bader
RJH Grisel
S Kandoi
TS Kim
WT Wallace
XL Ding
XY Deng
Y Xu
ZP Liu
Publication venue: 'Springer Science and Business Media LLC'
Publication date
Field of study

Reaction Kinetics of Ethylene Glycol Reforming over Platinum in the Vapor versus Aqueous Phases

Author: Alcala R.
Bligaard T.
Cortright R. D.
Dante Simonetti
Davda R. R.
Davda R. R.
Davda R. R.
Davda R. R.
Ferrin P.
Gokhale A. A.
Grabow L.
Greeley J.
Greeley J.
Greeley J.
Hammer B.
He R.
Huber G. W.
Huber G. W.
Huber G. W.
James A. Dumesic
Jeff Greeley
John Shabaker
Kandoi S.
Kandoi S.
Liu P.
Manos Mavrikakis
Nørskov J. K.
Ragauskas A. J.
Rodriguez J. A.
Shabaker J. W.
Shabaker J. W.
Shabaker J. W.
Shabaker J. W.
Shampa Kandoi
Soares R. R.
Spiewak B. E.
Stewart W. E.
Publication venue: 'American Chemical Society (ACS)'
Publication date
Field of study

A study of synthesis gas conversion to methane and methanol over a Mo 6

Author: Alcala R.
Anderson R.B.
Bian G.
Chuang S.C.
Delley B.
Feng Z.
Gotti A.
Greeley J.
Greeley J.
Iranmahboob J.
Kandoi S.
Liu P.
Neurock M.
Paul A.C.
Remediakis I.N.
Zaman S.F.
Zeroka D.
Zhang Y.
Zuzaniuk V.
Publication venue: 'Informa UK Limited'
Publication date
Field of study

Fluorine-Doped IrO 2

Author: Barbir F.
Barbir F.
Bligaard T.
Crabtree G. W.
Datta M. K.
Dau H.
Hammer B.
Henkelman G.
Kadakia K.
Kandoi S.
Karan Kadakia
Kresse G.
Kresse G.
Kresse G.
Lewis N. S.
Moni K. Datta
Ogden J. M.
Ohi J.
Oleg I. Velikokhatnyi
Perdew J. P.
Prashant N. Kumta
Rossmeisl J.
Rossmeisl J.
Satyapal S.
Turner J. A.
Yeh S.
Publication venue: 'American Chemical Society (ACS)'
Publication date
Field of study

Microkinetic Simulation of Ammonia Oxidation on the RuO 2

Author: Bjorkman K. R.
Blaylock D. W.
Cao X.-M.
Cortright R. D.
Cui X.
Gokhale A. A.
Gokhale A. A.
Grabow L. C.
Hevia M. A. G.
Hong S.
Kandoi S.
Kim Y. D.
Kresse G.
Kresse G.
Kresse G.
Kresse G.
Liu Z.-P.
Madon R. J.
Novell-Leruth G.
Over H.
Perez-Ramirez J.
Sutton J. E.
Wang C.-C.
Wang C.-C.
Wang Y.
Zweidinger S.
Publication venue: 'American Chemical Society (ACS)'
Publication date
Field of study

Oxygen-Assisted Water Dissociation on Metal Surfaces: Kinetics and Quantum Effects

Author: Bell R. P.
Cohen O. A.
Cukier R. I.
Ernst D. German
Georgievskii Yu.
German E. D.
German E. D.
German E. D.
Grabow L. C.
Hammes-Shiffer Sh.
Kandoi S.
Kuznetsov A. M.
Landau L. D.
Levich V. G.
Marcus R. A.
Michaelides A.
Moshe Sheintuch
Scone J. H.
Soudakov A.
Wang G.-C.
Publication venue: 'American Chemical Society (ACS)'
Publication date
Field of study

Decomposition Pathways of Glycerol via C–H, O–H, and C–C Bond Scission on Pt(111): A Density Functional Theory Study

A comparative study of the effect of addition of CeO x and Li2O on γ-Al2O3 supported copper, silver and gold catalysts in the preferential oxidation of CO

Author: A. C. Gluhoi
A.C. Gluhoi
A.C. Gluhoi
A.C. Gluhoi
A.C. Gluhoi
B. E. Nieuwenhuys
B. Hohlein
D.H. Kim
F. Arena
G. Avgouropoulos
G. Avgouropoulos
G.J. Hutchings
H.-F. Oetjen
M. Haruta
M. Haruta
M. J. Lippits
M. Watanabe
M.A.P. Dekkers
M.J. Kahlich
R.F. Mann
R.H.T. Sanchez
R.J.H. Grisel
R.J.H. Grisel
S. Freni
S. Gottesfield
S. Kandoi
S.D. Lin
S.H. Oh
S.H. Taylor
Publication venue: 'Springer Science and Business Media LLC'
Publication date
Field of study

Microkinetic Simulation of Temperature-Programmed Desorption

Author: Alas S. J.
Amenomiya Y.
Bjorkman K. R.
Blaylock D. W.
Cao X.-M.
Chia-Ching Wang
Cortright R. D.
Gokhale A. A.
Gokhale A. A.
Grabow L. C.
Hevia M. A. G.
Hong S.
Jyh-Chiang Jiang
Jyun-Yi Wu
Kandoi S.
Kresse G.
Kresse G.
Kresse G.
Kresse G.
Lobo A.
Madon R. J.
Novell-Leruth G.
Over H.
Perez-Ramirez J.
Raaen S.
Redhead P. A.
Sinha N. K.
van Bavel A. P.
Wang C.-C.
Wang C.-C.
Wang C.-C.
Wang J.
Wang Y.
Zuniga-Hansen N.
Zweidinger S.
Publication venue: 'American Chemical Society (ACS)'
Publication date
Field of study

HGV&TB: a comprehensive online resource on human genes and genetic variants associated with tuberculosis

Author: Adzhubei
Amirzargar
Bellamy
Bellamy
Bellamy
Bellamy
Ben-Selma
Berrington
Buijtels
Comstock
Correa
Cotton
D. Bhartiya
den Dunnen
Dolin
Fan
Feng
FITNESS
G. Kandoi
Ganachari
Gupta
H. Dhiman
He
Huang
Karolchik
Kumar
Lian
Ma
Ma
Ma
Maliarik
Merza
Motsinger-Reif
Murray
R. Sahajpal
Rebhan
Ridruechai
S. Raj
Shaw
Sherry
Smith
Spence
Stead
Tavtigian
V. Scaria
Wang
Wildeman
Y. Hasija
Yang
Publication venue: 'Oxford University Press (OUP)'
Publication date
Field of study

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