| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A density functional theory study of small Au nanoparticles at CeO2 surfaces
|
Zhu, Wen-Jun
|
|
2011
|
165 |
1 |
p. 19-24
6 p.
|
artikel
|
| 2 |
Adsorption and activation of CO2 over the Cu–Co catalyst supported on partially hydroxylated γ-Al2O3
|
Yin, Shuxia
|
|
2011
|
165 |
1 |
p. 10-18
9 p.
|
artikel
|
| 3 |
Adsorption and reactions of NO x on RuO2(110)
|
Wang, Hangyao
|
|
2011
|
165 |
1 |
p. 49-55
7 p.
|
artikel
|
| 4 |
An understanding of chemoselective hydrogenation on crotonaldehyde over Pt(111) in the free energy landscape: The microkinetics study based on first-principles calculations
|
Cao, Xiao-Ming
|
|
2011
|
165 |
1 |
p. 71-79
9 p.
|
artikel
|
| 5 |
Challenges in the first-principles description of reactions in electrocatalysis
|
Schnur, Sebastian
|
|
2011
|
165 |
1 |
p. 129-137
9 p.
|
artikel
|
| 6 |
Density functional theory investigations on the catalytic mechanisms of hydrazine decompositions on Ir(111)
|
Zhang, Ping-Xia
|
|
2011
|
165 |
1 |
p. 80-88
9 p.
|
artikel
|
| 7 |
Density functional theory study of the effect of subsurface H, C, and Ag on C2H2 hydrogenation on Pd(111)
|
Tiruppathi, Pavithra
|
|
2011
|
165 |
1 |
p. 106-111
6 p.
|
artikel
|
| 8 |
Dissociation of methanol on hydroxylated TiO2-B (100) surface: Insights from first principle DFT calculation
|
Liu, Weijia
|
|
2011
|
165 |
1 |
p. 32-40
9 p.
|
artikel
|
| 9 |
Does confinement effect always enhance catalytic activity? A theoretical study of H2 dissociation on CNT supported gold clusters
|
Li, Zhe
|
|
2011
|
165 |
1 |
p. 25-31
7 p.
|
artikel
|
| 10 |
Effect of Pd surface structure on the activation of methyl acetate
|
Xu, Lijun
|
|
2011
|
165 |
1 |
p. 96-105
10 p.
|
artikel
|
| 11 |
Effects of heat and mass transfer on the kinetics of CO oxidation over RuO2(110) catalyst
|
Mei, Donghai
|
|
2011
|
165 |
1 |
p. 56-63
8 p.
|
artikel
|
| 12 |
Electrocatalyst design from first principles: A hydrogen-production catalyst inspired by nature
|
Zipoli, Federico
|
|
2011
|
165 |
1 |
p. 160-170
11 p.
|
artikel
|
| 13 |
IFC - Editorial Board
|
|
|
2011
|
165 |
1 |
p. CO2-
1 p.
|
artikel
|
| 14 |
Pd ensemble effects on oxygen hydrogenation in AuPd alloys: A combined density functional theory and Monte Carlo study
|
Ham, Hyung Chul
|
|
2011
|
165 |
1 |
p. 138-144
7 p.
|
artikel
|
| 15 |
Preface
|
Ge, Qingfeng
|
|
2011
|
165 |
1 |
p. 1-
1 p.
|
artikel
|
| 16 |
Reaction mechanism of tert-butylation of phenol with tert-butyl alcohol over H-β zeolite: An ONIOM study
|
Nie, Xiaowa
|
|
2011
|
165 |
1 |
p. 120-128
9 p.
|
artikel
|
| 17 |
Reactivity of hydrogen and methanol on (001) surfaces of WO3, ReO3, WO3/ReO3 and ReO3/WO3
|
Ling, Sanliang
|
|
2011
|
165 |
1 |
p. 41-48
8 p.
|
artikel
|
| 18 |
Spontaneous reduction of O2 on PtVFe nanocatalysts
|
Wang, Lichang
|
|
2011
|
165 |
1 |
p. 150-159
10 p.
|
artikel
|
| 19 |
Structure evolution of Pt–3d transition metal alloys under reductive and oxidizing conditions and effect on the CO oxidation: a first-principles study
|
Su, Hai-Yan
|
|
2011
|
165 |
1 |
p. 89-95
7 p.
|
artikel
|
| 20 |
Theoretical studies of Na+ location in ZSM-5: Model selection for accurate coordination structure and energetics
|
Chu, Zhen-Kun
|
|
2011
|
165 |
1 |
p. 112-119
8 p.
|
artikel
|
| 21 |
The role of transition metal interfaces on the electronic transport in lithium–air batteries
|
Chen, Jingzhe
|
|
2011
|
165 |
1 |
p. 2-9
8 p.
|
artikel
|
| 22 |
Understanding of ethanol decomposition on Rh(111) from density functional theory and kinetic Monte Carlo simulations
|
Choi, YongMan
|
|
2011
|
165 |
1 |
p. 64-70
7 p.
|
artikel
|
| 23 |
Water splitting on TiO2 nanotube arrays
|
Meng, Qiang-qiang
|
|
2011
|
165 |
1 |
p. 145-149
5 p.
|
artikel
|
Tijdschrift beschrijving