Title: Structural investigations in pure-silica and Al-ZSM-12 with MTEA or TEA cations Year: 2018
Authors (8):
M. Počkaj, A. Meden, N. šA. Zabukovec Logar, M. Rangus, G. Mali, I. Lezcano-González, A. M. Beale, A. Golobič
Publisher: Microporous and Mesoporous Materials
DOI: 10.1016/j.micromeso.2017.12.015 article-journal
Themes: Design (2018)
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Title: On the synthesis and performance of hierarchical nanoporous TS-1 catalysts Year: 2017
Authors (6):
A. -L. Adedigba, G. Sankar, C. R. A. .Catlow, Y. Du, S. Xi, A. Borgna
Publisher: Microporous and Mesoporous Materials
DOI: 10.1016/j.micromeso.2017.02.048 article-journal
Themes: Design (2017)
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Title: Neutron Scattering of Aromatic and Aliphatic Liquids Year: 2016
Authors (5):
M. Falkowska, D. T. Bowron, H. G. Manyar, C. Hardacre, T. G. A. .Youngs
Publisher: ChemPhysChem
DOI: 10.1002/cphc.201600149 article-journal
Themes: Energy (2016)
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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: Projector-Based Embedding Eliminates Density Functional Dependence for QM/MM Calculations of Reactions in Enzymes and Solution Year: 2019
Authors (8):
S. J. Bennie, N. Lawan, S. J. Macrae, F. R. Manby, A. J. Mulholland, K. E. Ranaghan, D. Shchepanovska, J. Zurek
Publisher: Journal of Chemical Information and Modeling
DOI: 10.1021/acs.jcim.8b00940 article-journal
Themes: Biocatalysis (2019)
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Title: Self-Limiting Growth of Two-Dimensional Palladium between Graphene Oxide Layers Year: 2019
Authors (12):
S. J. Haigh, C. Hardacre, C. Hu, K. Huang, V. G. Kravets, R. R. Nair, M. Neek-Amal, F. M. Peeters, E. Prestat, V. K. Puthiyapura, Y. Su, H. Xiao
Publisher: Nano Letters
DOI: 10.1021/acs.nanolett.9b01733 article-journal
Themes: Energy (2019)
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Title: Comprehensive Vibrational Spectroscopic Characterization of Nylon-6 Precursors for Precise Tracking of the Beckmann Rearrangement Year: 2018
Authors (4):
S. Chapman, A. J. O'Malley, S. F. Parker, R. Raja
Publisher: ChemPhysChem
DOI: 10.1002/cphc.201800721 journal-article
Themes: Design (2018)
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Title: Design, synthesis and applications of new families of chiral sulfonic acids Year: 2015
Authors (5):
P. Jakubec, M. E. Muratore, I. Aillaud, A. L. Thompson, D. J. Dixon
Publisher: Tetrahedron: Asymmetry
DOI: 10.1016/j.tetasy.2015.02.002 journal-article
Themes: Transformations (2015)
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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: 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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