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: The reaction of formic acid with Raney TM copper Year: 2016
Authors (5):
S. K. Callear, I. P. Silverwood, A. Chutia, C. R. A. .Catlow, S. F. Parker
Publisher: Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences
DOI: 10.1098/rspa.2016.0126 article-journal
Themes: Design (2016)
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Title: Influence of dopant substitution mechanism on catalytic properties within hierarchical architectures Year: 2016
Authors (5):
S. H. Newland, W. Sinkler, T. M. Mezza, S. R. Bare, R. Raja
Publisher: Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences
DOI: 10.1098/rspa.2016.0095 article-journal
Themes: Design (2016)
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Title: YFeO 3 Photocathodes for Hydrogen Evolution Year: 2017
Authors (6):
M. I. Díez-García, V. Celorrio, L. Calvillo, D. Tiwari, R. Gómez, D. J. Fermín
Publisher: Electrochimica Acta
DOI: 10.1016/j.electacta.2017.06.025 article-journal
Themes: Energy (2017)
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Title: Biobutanol as Fuel for Direct Alcohol Fuel Cells—Investigation of Sn-Modified Pt Catalyst for Butanol Electro-oxidation Year: 2016
Authors (5):
V. K. Puthiyapura, D. J. L. .Brett, A. E. Russell, W. -F. Lin, C. Hardacre
Publisher: ACS Applied Materials & Interfaces
DOI: 10.1021/acsami.6b02863 article-journal
Themes: Energy (2016)
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Title: H2 production by the photocatalytic reforming of cellulose and raw biomass using Ni, Pd, Pt and Au on titania Year: 2016
Authors (4):
A. Caravaca, W. Jones, C. Hardacre, M. Bowker
Publisher: Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences
DOI: 10.1098/rspa.2016.0054 article-journal
Themes: Energy (2016)
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Title: Proteins as templates for complex synthetic metalloclusters: towards biologically programmed heterogeneous catalysis Year: 2016
Authors (2):
C. Fehl, B. G. Davis
Publisher: Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences
DOI: 10.1098/rspa.2016.0078 article-journal
Themes: Transformations (2016)
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Title: Electrochemical reduction of carbon dioxide on copper-based nanocatalysts using the rotating ring-disc electrode Year: 2018
Authors (6):
M. Bersani, D. J. L. .Brett, J. A. Darr, K. Gupta, P. R. Shearing, X. Zhu
Publisher: Electrochimica Acta
DOI: 10.1016/j.electacta.2018.07.025 article-journal
Themes: Collaborations (2018)
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Title: Enlighten2: molecular dynamics simulations of protein–ligand systems made accessible Year: 2020
Authors (2):
K. Zinovjev, M. W. van der Kamp
Publisher: Bioinformatics
DOI: 10.1093/bioinformatics/btaa643 article-journal
Themes: Biocatalysis (2020)
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Title: Visualizing the protons in a metalloenzyme electron proton transfer pathway Year: 2020
Authors (11):
H. Kwon, J. Basran, J. M. Devos, R. Suardíaz, M. W. van der Kamp, A. J. Mulholland, T. E. Schrader, A. Ostermann, M. P. Blakeley, P. C. E. .Moody, E. L. Raven
Publisher: Proceedings of the National Academy of Sciences
DOI: 10.1073/pnas.1918936117 journal-article
Themes: Biocatalysis (2020)
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