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: Insights into the Mechanistic Basis of Plasmid-Mediated Colistin Resistance from Crystal Structures of the Catalytic Domain of MCR-1 Year: 2017
Authors (21):
P. Hinchliffe, Q. E. Yang, E. Portal, T. Young, H. Li, C. L. Tooke, M. J. Carvalho, N. G. Paterson, J. üR. Brem, P. R. Niumsup, U. Tansawai, L. Lei, M. Li, Z. Shen, Y. Wang, C. J. Schofield, A. J. Mulholland, J. Shen, N. Fey, T. R. Walsh, J. Spencer
Publisher: Scientific Reports
DOI: 10.1038/srep39392 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: Restructuring of AuPd Nanoparticles Studied by a Combined XAFS/DRIFTS Approach Year: 2015
Authors (11):
E. K. Gibson, A. M. Beale, C. R. A. .Catlow, A. Chutia, D. Gianolio, A. L. Gould, A. B. Kroner, K. M. H. .Mohammed, M. Perdjon, S. M. Rogers, P. P. Wells
Publisher: Chemistry of Materials
DOI: 10.1021/acs.chemmater.5b00866 article-journal
Themes: Design (2015), BAG (2015)
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Title: Highly Tunable Catalyst Supports for Single-Site Ethylene Polymerization Year: 2015
Authors (8):
J. -C. Buffet, N. Wanna, T. A. Q. .Arnold, E. K. Gibson, P. P. Wells, Q. Wang, J. Tantirungrotechai, D. O’Hare
Publisher: Chemistry of Materials
DOI: 10.1021/cm503433q article-journal
Themes: Design (2015), BAG (2015)
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Title: Au–Pd Nanoparticles Dispersed on Composite Titania/Graphene Oxide-Supports as a Highly Active Oxidation Catalyst Year: 2015
Authors (10):
J. Wang, S. A. Kondrat, Y. Wang, G. L. Brett, C. Giles, J. K. Bartley, L. Lu, Q. Liu, C. J. Kiely, G. J. Hutchings
Publisher: ACS Catalysis
DOI: 10.1021/acscatal.5b00480 article-journal
Themes: Design (2015)
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Title: Elucidating Structure–Property Relationships in the Design of Metal Nanoparticle Catalysts for the Activation of Molecular Oxygen Year: 2015
Authors (8):
C. S. Hinde, D. Ansovini, P. P. Wells, G. Collins, S. V. Aswegen, J. D. Holmes, T. S. . A. Hor, R. Raja
Publisher: ACS Catalysis
DOI: 10.1021/acscatal.5b00481 article-journal
Themes: Design (2015), BAG (2015)
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