Title: QM/MM simulations identify the determinants of catalytic activity differences between type II dehydroquinase enzymes Year: 2018
Authors (4):
E. Lence, M. W. van der Kamp, C. González-Bello, A. J. Mulholland
Publisher: Organic & Biomolecular Chemistry
DOI: 10.1039/c8ob00066b article-journal
Themes: Biocatalysis (2018)
|
Title: Comparing ammonia diffusion in NH3-SCR zeolite catalysts: a quasielastic neutron scattering and molecular dynamics simulation study Year: 2018
Authors (7):
A. J. O'Malley, M. Sarwar, J. Armstrong, C. R. A. .Catlow, I. P. Silverwood, A. P. E. .York, I. Hitchcock
Publisher: Physical Chemistry Chemical Physics
DOI: 10.1039/c8cp01022f article-journal
Themes: Design (2018)
|
Title: The integration of experiment and computational modelling in heterogeneously catalysed ammonia synthesis over metal nitrides Year: 2018
Authors (4):
C. D. Zeinalipour-Yazdi, J. S. J. .Hargreaves, S. Laassiri, C. R. A. .Catlow
Publisher: Physical Chemistry Chemical Physics
DOI: 10.1039/c8cp04216k article-journal
Themes: Design (2018)
|
Title: Evolution of palladium sulfide phases during thermal treatments and consequences for acetylene hydrogenation Year: 2018
Authors (6):
Y. Liu, A. J. McCue, J. Feng, S. Guan, D. Li, J. A. Anderson
Publisher: Journal of Catalysis
DOI: 10.1016/j.jcat.2018.05.018 article-journal
Themes: BAG (2018)
|
Title: Effects of zeolite particle size and internal grain boundaries on Pt/Beta catalyzed isomerization of n-pentane Year: 2018
Authors (7):
G. Ye, Y. Sun, Z. Guo, K. Zhu, H. Liu, X. Zhou, M. -O. Coppens
Publisher: Journal of Catalysis
DOI: 10.1016/j.jcat.2018.01.033 article-journal
Themes: Design (2018)
|
Title: Localised electrochemical impedance measurements of a polymer electrolyte fuel cell using a reference electrode array to give cathode-specific measurements and examine membrane hydration dynamics Year: 2018
Authors (8):
E. Engebretsen, G. Hinds, Q. Meyer, T. J. Mason, E. Brightman, L. Castanheira, P. R. Shearing, D. J. L. .Brett
Publisher: Journal of Power Sources
DOI: 10.1016/j.jpowsour.2018.02.022 journal-article
Themes: Energy (2018)
|
Title: On the possibility of an Eley–Rideal mechanism for ammonia synthesis on Mn6N5+x (x = 1)-(111) surfaces Year: 2018
Authors (1):
C. D. Zeinalipour-Yazdi
Publisher: Physical Chemistry Chemical Physics
DOI: 10.1039/c8cp02381f journal-article
Themes: Design (2018)
|
Title: Improving the ORR performance by enhancing the Pt oxidation resistance Year: 2022
Authors (11):
R. Xu, L. Kang, K. G. Papanikolaou, B. Wang, S. Marlow, Q. He, P. Zhang, J. Wang, D. J. L. .Brett, M. Stamatakis, F. R. Wang
Publisher: Journal of Catalysis
DOI: 10.1016/j.jcat.2022.10.025 journal-article
Themes: New Catalysts (2022), BAG (2022)
|