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                             17 results found
no title author magazine year volume issue page(s) type
1 A Comparative Density Functional Theory Study of Water Gas Shift Over PdZn(111) and NiZn(111) Wei, Haojuan
2012
55 5-6 p. 313-321
article
2 Aqueous N2O Reduction with H2 Over Pd-Based Catalyst: Mechanistic Insights From Experiment and Simulation McCalman, Dorrell C.
2012
55 5-6 p. 300-312
article
3 Construction of New Electronic Density Functionals with Error Estimation Through Fitting Petzold, V.
2012
55 5-6 p. 402-417
article
4 Decomposition of Furan on Pd(111) Xu, Ye
2012
55 5-6 p. 290-299
article
5 Density Functional Theory Study of Selectivity Considerations for C–C Versus C–O Bond Scission in Glycerol Decomposition on Pt(111) Liu, Bin
2012
55 5-6 p. 280-289
article
6 Electronic Structure Engineering in Heterogeneous Catalysis: Identifying Novel Alloy Catalysts Based on Rapid Screening for Materials with Desired Electronic Properties Xin, Hongliang
2012
55 5-6 p. 376-390
article
7 Enantiospecific Chemisorption of Amino Acids on Step Decorated Chiral Cu Surfaces Han, Jeong Woo
2012
55 5-6 p. 243-259
article
8 Estimating the Thermochemistry of Adsorbates Based Upon Gas-Phase Properties Goldsmith, C. Franklin
2012
55 5-6 p. 366-375
article
9 Evolution of Pt and Pt-Alloy Catalytic Surfaces Under Oxygen Reduction Reaction in Acid Medium Balbuena, P. B.
2012
55 5-6 p. 322-335
article
10 Exploring Computational Design of Size-Specific Subnanometer Clusters Catalysts Ferguson, Glen Allen
2012
55 5-6 p. 353-365
article
11 Influence of Sulfur Poisoning on CO Adsorption on Pd(100) Alfonso, Dominic R.
2012
55 5-6 p. 267-279
article
12 Platinum Nanoclusters Exhibit Enhanced Catalytic Activity for Methane Dehydrogenation Cheng, Zhuo
2012
55 5-6 p. 345-352
article
13 Preface: Trends in Computational Catalysis Kitchin, John
2012
55 5-6 p. 227-228
article
14 Quantum Chemical Determination of Stable Intermediates on CO2 Adsorption Onto Metal(Salen) Complexes Curet-Arana, Maria C.
2012
55 5-6 p. 260-266
article
15 Search Directions for Direct H2O2 Synthesis Catalysts Starting from Au12 Nanoclusters Grabow, L. C.
2012
55 5-6 p. 336-344
article
16 Selectivity of Adsorption of Thiophene and its Derivatives on Titania Anatase Surfaces: A Density Functional Theory Study Sitamraju, Siddarth
2012
55 5-6 p. 229-242
article
17 Theoretical Investigation of Hydrogen Adsorption and Dissociation on Iron and Iron Carbide Surfaces Using the ReaxFF Reactive Force Field Method Zou, Chenyu
2012
55 5-6 p. 391-401
article
                             17 results found
 
 Koninklijke Bibliotheek - National Library of the Netherlands