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 influence of porosity on nanoparticle formation in hierarchical aluminophosphates Year: 2019
Authors (6):
J. Callison, P. M. Mhembere, A. E. Oakley, M. E. Potter, R. Raja, L. N. Riley
Publisher: Beilstein Journal of Nanotechnology
DOI: 10.3762/bjnano.10.191 article-journal
Themes: Design (2019), BAG (2019)
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Title: Improving Photocatalytic Energy Conversion via NAD(P)H Year: 2020
Authors (5):
W. Jones, J. W. H. .Burnett, J. Shi, R. F. Howe, X. Wang
Publisher: Joule
DOI: 10.1016/j.joule.2020.07.024 journal-article
Themes: Water-Energy (2020)
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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: Chemical looping dry reforming of methane using mixed oxides of iron and cerium: Operation window Year: 2021
Authors (2):
F. R. García-García, I. S. Metcalfe
Publisher: Catalysis Communications
DOI: 10.1016/j.catcom.2021.106356 journal-article
Themes: Energy (2021)
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Title: Direct air capture: process technology, techno-economic and socio-political challenges Year: 2022
Authors (6):
M. Erans, E. S. Sanz-Pérez, D. P. Hanak, Z. Clulow, D. M. Reiner, G. A. Mutch
Publisher: Energy & Environmental Science
DOI: 10.1039/d1ee03523a journal-article
Themes: Circular Economy (2022)
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Title: Designing a data infrastructure for catalysis science aligned to FAIR data principles Year: 2022
Authors (5):
A. Nieva de la Hidalga, J. B. M. .Goodall, C. Anyika, B. Matthews, C. R. A. .Catlow
Publisher: Catalysis Communications
DOI: 10.1016/j.catcom.2021.106384 journal-article
Themes: Core (2022)
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Title: Design of CO2 hydrogenation catalysts based on phosphane/borane frustrated Lewis pairs and xanthene-derived scaffolds Year: 2022
Authors (4):
M. Delarmelina, J. W. D. M. Carneiro, C. R. A. .Catlow, M. Bühl
Publisher: Catalysis Communications
DOI: 10.1016/j.catcom.2021.106385 journal-article
Themes: Water-Energy (2022)
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Title: Effect of concentrated NaCl on catalytic wet oxidation (CWO) of short chain carboxylic acids Year: 2022
Authors (6):
X. Ou, H. Daly, S. Chansai, S. K. Beaumont, X. Fan, C. Hardacre
Publisher: Catalysis Communications
DOI: 10.1016/j.catcom.2021.106395 journal-article
Themes: Water-Energy (2022)
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Title: Process-oriented approach towards catalyst design and optimisation Year: 2022
Authors (7):
M. R. Abbasi, F. Galvanin, A. J. Blacker, E. Sorensen, Y. Shi, P. W. Dyer, A. Gavriilidis
Publisher: Catalysis Communications
DOI: 10.1016/j.catcom.2021.106392 journal-article
Themes: New Catalysts (2022)
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