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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: Di-Zinc-Aryl Complexes: CO2Insertions and Applications in Polymerisation Catalysis Year: 2017
Authors (6):
C. Romain, J. A. Garden, G. Trott, A. Buchard, A. J. P. .White, C. K. Williams
Publisher: Chemistry - A European Journal
DOI: 10.1002/chem.201701013 article-journal
Themes: Transformations (2017)
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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: Electrochemical characterization and regeneration of sulfur poisoned Pt catalysts in aqueous media Year: 2018
Authors (8):
C. -H. Chen, A. Halford, M. Walker, C. Brennan, S. C. S. .Lai, D. J. Fermín, P. R. Unwin, P. Rodríguez
Publisher: Journal of Electroanalytical Chemistry
DOI: 10.1016/j.jelechem.2018.03.015 article-journal
Themes: Energy (2018)
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Title: In Situ Spatially Resolved Techniques for the Investigation of Packed Bed Catalytic Reactors: Current Status and Future Outlook of Spaci-FB Year: 2017
Authors (4):
A. Goguet, C. Stewart, J. Touitou, K. Morgan
Publisher: Book Chapter
DOI: 10.1016/bs.ache.2017.05.001 chapter
Themes: Design (2017)
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Title: In situ determination of the nanostructure effects on the activity, stability and selectivity of Pt-Sn ethanol oxidation catalysts Year: 2018
Authors (6):
L. Calvillo, L. Mendez De Leo, S. J. Thompson, S. W. T. .Price, E. J. Calvo, A. E. Russell
Publisher: Journal of Electroanalytical Chemistry
DOI: 10.1016/j.jelechem.2017.09.060 article-journal
Themes: BAG (2018)
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Title: Integrated Theoretical and Empirical Studies for Probing Substrate–Framework Interactions in Hierarchical Catalysts Year: 2019
Authors (9):
M. Carravetta, S. Chapman, P. Cox, E. Gianotti, L. Marchese, I. Miletto, A. J. O'Malley, S. F. Parker, R. Raja
Publisher: Chemistry - A European Journal
DOI: 10.1002/chem.201901188 article-journal
Themes: Design (2019)
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Title: Linear, Trinuclear Cobalt Complexes with o-Phenylene-bis-Silylamido Ligands Year: 2017
Authors (8):
K. Y. Monakhov, J. van Leusen, P. Kögerler, E. -L. Zins, M. E. ïL. Alikhani, M. Tromp, A. A. Danopoulos, P. Braunstein
Publisher: Chemistry - A European Journal
DOI: 10.1002/chem.201700496 article-journal
Themes: BAG (2017)
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Title: Mechanism of the Catalytic Carboxylation of Alkylboronates with CO2 Using Ni−NHC Complexes: A DFT Study Year: 2017
Authors (5):
M. Delarmelina, E. Marelli, J. W. de M. Carneiro, S. P. Nolan, M. Bühl
Publisher: Chemistry - A European Journal
DOI: 10.1002/chem.201703567 article-journal
Themes: Energy (2017), Environment (2017)
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Title: Multiscale Workflow for Modeling Ligand Complexes of Zinc Metalloproteins Year: 2021
Authors (8):
Z. Yang, R. M. Twidale, S. Gervasoni, R. Suardíaz, C. K. Colenso, E. J. M. .Lang, J. Spencer, A. J. Mulholland
Publisher: Journal of Chemical Information and Modeling
DOI: 10.1021/acs.jcim.1c01109 journal-article
Themes: Biocatalysis (2021)
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