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: Extracting structural information of Au colloids at ultra-dilute concentrations: identification of growth during nanoparticle immobilization Year: 2019
Authors (11):
N. Abdullah, M. Briceno de Gutierrez, C. R. A. .Catlow, P. Collier, D. Decarolis, N. Dimitratos, S. Hayama, S. M. Rogers, G. F. Tierney, A. Villa, P. P. Wells
Publisher: Nanoscale Advances
DOI: 10.1039/c9na00159j article-journal
Themes: Design (2019)
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Title: Solution Processing Route to Multifunctional Titania Thin Films: Highly Conductive and Photcatalytically Active Nb:TiO2 Year: 2014
Authors (12):
D. S. Bhachu, S. Sathasivam, G. Sankar, D. O. Scanlon, G. Cibin, C. J. Carmalt, I. P. Parkin, G. W. Watson, S. M. Bawaked, A. Y. Obaid, S. Al-Thabaiti, S. N. Basahel
Publisher: Advanced Functional Materials
DOI: 10.1002/adfm.201400338 article-journal
Themes: BAG (2014)
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Title: The Detection of Monoclinic Zirconia and Non-Uniform 3D Crystallographic Strain in a Re-Oxidized Ni-YSZ Solid Oxide Fuel Cell Anode" Year: 2020
Authors (10):
T. M. M. .Heenan, A. Vamvakeros, C. Tan, D. P. Finegan, S. R. Daemi, S. D. M. .Jacques, A. M. Beale, M. Di Michiel, D. J. L. .Brett, P. R. Shearing
Publisher: Crystals
DOI: 10.3390/cryst10100941 article-journal
Themes: Core (2021)
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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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Title: The Exsolution of Cu Particles from Doped Barium Cerate Zirconate via Barium Cuprate Intermediate Phases Year: 2023
Authors (6):
M. Wang, E. I. Papaioannou, I. S. Metcalfe, A. B. Naden, C. D. Savaniu, J. T. S. .Irvine
Publisher: Advanced Functional Materials
DOI: 10.1002/adfm.202302102 journal-article
Themes: Circular Economy (2023)
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