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: Tellurium-doped lanthanum manganite as catalysts for the oxygen reduction reaction Year: 2017
Authors (5):
V. Celorrio, L. J. Morris, M. Cattelan, N. A. .Fox, D. J. Fermín
Publisher: MRS Communications
DOI: 10.1557/mrc.2017.22 article-journal
Themes: Energy (2017)
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Title: Benchmarking quantum mechanical methods for calculating reaction energies of reactions catalyzed by enzymes Year: 2020
Authors (5):
J. Sirirak, N. Lawan, M. W. van der Kamp, J. N. Harvey, A. J. Mulholland
Publisher: PeerJ Physical Chemistry
DOI: 10.7717/peerj-pchem.8 journal-article
Themes: Biocatalysis (2020)
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Title: The influence of phase purity on the stability of Pt/LaAlO3 catalysts in the aqueous phase reforming of glycerol Year: 2022
Authors (5):
D. R. Inns, X. Pei, Z. Zhou, D. J. .M. .Irving, S. A. Kondrat
Publisher: Materials Chemistry Today
DOI: 10.1016/j.mtchem.2022.101230 journal-article
Themes: BAG (2022)
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