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: Electrochemical Behavior of Pt–Ru Catalysts Supported on Graphitized Ordered Mesoporous Carbons toward CO and Methanol Oxidation Year: 2019
Authors (6):
J. C. Calderón Gómez, L. Calvillo, V. Celorrio, M. J. Lázaro Elorri, R. Moliner, D. Sebastián
Publisher: Surfaces
DOI: 10.3390/surfaces2010001 article-journal
Themes: Energy (2019)
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Title: Integration of supercapacitors into printed circuit boards Year: 2018
Authors (13):
D. I. Abouelamaiem, D. J. L. .Brett, G. He, S. Ji, A. B. Jorge, T. J. Mason, J. Millichamp, T. P. Neville, I. P. Parkin, L. Rasha, P. R. Shearing, M. -M. Titirici, R. Wang
Publisher: Journal of Energy Storage
DOI: 10.1016/j.est.2018.06.016 article-journal
Themes: Collaborations (2018)
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Title: New insights into the electrochemical behaviour of porous carbon electrodes for supercapacitors Year: 2018
Authors (15):
D. I. Abouelamaiem, D. J. L. .Brett, D. Cazorla-Amorós, G. He, S. Ji, A. B. Jorge, D. Lozano-Castelló, E. Morallón, M. J. Mostazo-López, T. P. Neville, I. P. Parkin, D. Patel, P. R. Shearing, M. -M. Titirici, R. Wang
Publisher: Journal of Energy Storage
DOI: 10.1016/j.est.2018.08.014 article-journal
Themes: Collaborations (2018)
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Title: Novel Lewis acidic zeolites as heterogeneous catalysts for liquid phase chemistry Year: 2017
Authors (1):
A. Al-Nayili
Publisher: Doctoral Thesis
DOI: phd-thesis
Themes: BAG (2017)
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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: Combined computational and neutron scattering studies of hydrocarbons confined in mesoporous materials Year: 2020
Authors (1):
D. Dervin
Publisher: Doctoral Thesis
DOI: phd-thesis
Themes: Theses (2019)
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Title: Improving Synchrotron Methods for Advanced Characterisation of Heterogeneous Catalysts Year: 2019
Authors (1):
E. K. Dann
Publisher: Doctoral Thesis
DOI: phd-thesis
Themes: Theses (2019)
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Title: Metal oxide preparation for heterogeneous catalysis Year: 2019
Authors (1):
W. T. Wallace
Publisher: Doctoral Thesis
DOI: phd-thesis
Themes: Theses (2019)
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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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