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: Understanding the Role of Designed Solid Acid Sites in the Low-Temperature Production of ϵ-Caprolactam Year: 2017
Authors (8):
M. E. Potter, S. Chapman, A. J. O'Malley, A. Levy, M. Carravetta, T. M. Mezza, S. F. Parker, R. Raja
Publisher: ChemCatChem
DOI: 10.1002/cctc.201700516 article-journal
Themes: Design (2017), Biocatalysis (2017)
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Title: Nb2O5/SBA-15 catalyzed propanoic acid esterification Year: 2017
Authors (7):
ÂN. Silva, K. Wilson, A. F. Lee, V. C. dos Santos, A. C. Cons Bacilla, K. M. Mantovani, S. Nakagaki
Publisher: Applied Catalysis B: Environmental
DOI: 10.1016/j.apcatb.2016.12.066 article-journal
Themes: Energy (2017)
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Title: Supercritical Antisolvent Precipitation of Amorphous Copper–Zinc Georgeite and Acetate Precursors for the Preparation of Ambient‐Pressure Water‐Gas‐Shift Copper/Zinc Oxide Catalysts Year: 2017
Authors (8):
P. J. Smith, S. A. Kondrat, J. H. Carter, P. A. Chater, J. K. Bartley, S. H. Taylor, M. S. Spencer, G. J. Hutchings
Publisher: ChemCatChem
DOI: 10.1002/cctc.201601603 article-journal
Themes: Environment (2017)
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Title: The Effects of Secondary Oxides on Copper‐Based Catalysts for Green Methanol Synthesis Year: 2017
Authors (5):
J. S. Hayward, P. J. Smith, S. A. Kondrat, M. Bowker, G. J. Hutchings
Publisher: ChemCatChem
DOI: 10.1002/cctc.201601692 article-journal
Themes: Environment (2017)
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Title: Influence of Synthesis Conditions on the Structure of Nickel Nanoparticles and their Reactivity in Selective Asymmetric Hydrogenation Year: 2020
Authors (13):
R. Arrigo, S. Gallarati, M. E. Schuster, J. M. Seymour, D. Gianolio, I. da Silva, J. Callison, H. Feng, J. E. Proctor, P. Ferrer, F. Venturini, D. Grinter, G. Held
Publisher: ChemCatChem
DOI: 10.1002/cctc.201901955 article-journal
Themes: Collaborations (2019)
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Title: The Methyl Torsion in Unsaturated Compounds Year: 2020
Authors (6):
A. Zachariou, A. P. Hawkins, P. Collier, R. F. Howe, D. Lennon, S. F. Parker
Publisher: ACS Omega
DOI: 10.1021/acsomega.9b03351 article-journal
Themes: Core (2020), Design (2020)
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Title: Onset of Propene Oligomerization Reactivity in ZSM-5 Studied by Inelastic Neutron Scattering Spectroscopy Year: 2020
Authors (7):
A. P. Hawkins, A. Zachariou, S. F. Parker, P. Collier, I. P. Silverwood, R. F. Howe, D. Lennon
Publisher: ACS Omega
DOI: 10.1021/acsomega.9b03503 article-journal
Themes: Design (2020)
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Title: Understanding structure-activity relationships in highly active La promoted Ni catalysts for CO2 methanation Year: 2020
Authors (13):
P. H. Ho, G. S. de Luna, S. Angelucci, A. Canciani, W. Jones, D. Decarolis, F. Ospitali, E. R. Aguado, E. Rodríguez-Castellón, G. Fornasari, A. Vaccari, A. M. Beale, P. Benito
Publisher: Applied Catalysis B: Environmental
DOI: 10.1016/j.apcatb.2020.119256 article-journal
Themes: BAG (2020), Core (2020)
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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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