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Title: Development of Interatomic Potentials for Supported Nanoparticles: The Cu/ZnO Case Year: 2017
Authors (6):
D. Mora-Fonz, T. Lazauskas, S. M. Woodley, S. T. Bromley, C. R. A. .Catlow, A. A. Sokol
Publisher: The Journal of Physical Chemistry C
DOI: 10.1021/acs.jpcc.7b04502 article-journal
Themes: Collaborations (2017)
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Title: Rapid Estimation of Catalytic Efficiency by Cumulative Atomic Multipole Moments: Application to Ketosteroid Isomerase Mutants Year: 2017
Authors (4):
W. Beker, M. W. van der Kamp, A. J. Mulholland, W. A. Sokalski
Publisher: Journal of Chemical Theory and Computation
DOI: 10.1021/acs.jctc.6b01131 article-journal
Themes: Biocatalysis (2017)
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Title: Combined In Situ XAFS/DRIFTS Studies of the Evolution of Nanoparticle Structures from Molecular Precursors Year: 2017
Authors (11):
E. K. Dann, E. K. Gibson, C. R. A. .Catlow, P. Collier, T. Eralp Erden, D. Gianolio, C. Hardacre, A. B. Kroner, A. Raj, A. Goguet, P. P. Wells
Publisher: Chemistry of Materials
DOI: 10.1021/acs.chemmater.7b02552 article-journal
Themes: Design (2017), BAG (2017)
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Title: Tandem Site- and Size-Controlled Pd Nanoparticles for the Directed Hydrogenation of Furfural Year: 2017
Authors (11):
S. M. Rogers, C. R. A. .Catlow, C. E. Chan-Thaw, A. Chutia, N. Jian, R. E. Palmer, M. Perdjon, A. Thetford, N. Dimitratos, A. Villa, P. P. Wells
Publisher: ACS Catalysis
DOI: 10.1021/acscatal.6b03190 article-journal
Themes: Design (2017), BAG (2017)
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Title: Understanding the Role of Molecular Diffusion and Catalytic Selectivity in Liquid-Phase Beckmann Rearrangement Year: 2017
Authors (12):
M. E. Potter, A. J. O'Malley, S. Chapman, J. Kezina, S. H. Newland, I. P. Silverwood, S. Mukhopadhyay, M. Carravetta, T. M. Mezza, S. F. Parker, C. R. A. .Catlow, R. Raja
Publisher: ACS Catalysis
DOI: 10.1021/acscatal.6b03641 article-journal
Themes: Design (2017)
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Title: Strain Effects on the Oxidation of CO and HCOOH on Au–Pd Core–Shell Nanoparticles Year: 2017
Authors (10):
V. Celorrio, P. M. Quaino, E. Santos, J. Flórez-Montaño, J. J. L. .Humphrey, O. Guillén-Villafuerte, D. Plana, M. J. Lázaro, E. Pastor, D. J. Fermín
Publisher: ACS Catalysis
DOI: 10.1021/acscatal.6b03237 article-journal
Themes: Energy (2017)
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Title: Structure of Gold–Silver Nanoparticles Year: 2017
Authors (5):
I. J. Godfrey, A. J. Dent, I. P. Parkin, S. Maenosono, G. Sankar
Publisher: The Journal of Physical Chemistry C
DOI: 10.1021/acs.jpcc.6b11186 article-journal
Themes: Design (2017)
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Title: The Methyl Torsion in Unsaturated Compounds Year: 2020
Authors (6):
A. Zachariou, A. P. Hawkins, P. Collier, R. F. Howe, D. Lennon, S. F. Parker
Publisher: ACS Omega
DOI: 10.1021/acsomega.9b03351 article-journal
Themes: Core (2020), Design (2020)
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Title: Rewiring the “Push-Pull” Catalytic Machinery of a Heme Enzyme Using an Expanded Genetic Code Year: 2020
Authors (12):
M. Ortmayer, K. Fisher, J. Basran, E. M. Wolde-Michael, D. J. Heyes, C. W. Levy, S. L. Lovelock, J. L. . R. Anderson, E. L. Raven, S. Hay, S. E. J. .Rigby, A. P. Green
Publisher: ACS Catalysis
DOI: 10.1021/acscatal.9b05129 article-journal
Themes: Biocatalysis (2020)
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Title: Onset of Propene Oligomerization Reactivity in ZSM-5 Studied by Inelastic Neutron Scattering Spectroscopy Year: 2020
Authors (7):
A. P. Hawkins, A. Zachariou, S. F. Parker, P. Collier, I. P. Silverwood, R. F. Howe, D. Lennon
Publisher: ACS Omega
DOI: 10.1021/acsomega.9b03503 article-journal
Themes: Design (2020)
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