Title: Quantum Mechanics/Molecular Mechanics Simulations Show Saccharide Distortion is Required for Reaction in Hen Egg‐White Lysozyme Year: 2018
Authors (4):
M. A. L. .Limb, R. Suardíaz, I. M. Grant, A. J. Mulholland
Publisher: Chemistry - A European Journal
DOI: 10.1002/chem.201805250 article-journal
Themes: Biocatalysis (2018)
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Title: Investigation of the Dynamics of 1-Octene Adsorption at 293 K in a ZSM-5 Catalyst by Inelastic and Quasielastic Neutron Scattering Year: 2018
Authors (9):
A. P. Hawkins, A. J. O'Malley, A. Zachariou, P. Collier, R. A. Ewings, I. P. Silverwood, R. F. Howe, S. F. Parker, D. Lennon
Publisher: The Journal of Physical Chemistry C
DOI: 10.1021/acs.jpcc.8b08420 article-journal
Themes: Design (2018)
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Title: The Role of Mg(OH)2 in the So-Called “Base-Free” Oxidation of Glycerol with AuPd Catalysts Year: 2018
Authors (8):
J. Fu, Q. He, P. J. Miedziak, G. L. Brett, X. Huang, S. Pattisson, M. Douthwaite, G. J. Hutchings
Publisher: Chemistry - A European Journal
DOI: 10.1002/chem.201704151 article-journal
Themes: Environment (2018)
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Title: Development of Interatomic Potentials for Supported Nanoparticles: The Cu/ZnO Case Year: 2017
Authors (6):
D. Mora-Fonz, T. Lazauskas, S. M. Woodley, S. T. Bromley, C. R. A. .Catlow, A. A. Sokol
Publisher: The Journal of Physical Chemistry C
DOI: 10.1021/acs.jpcc.7b04502 article-journal
Themes: Collaborations (2017)
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Title: Optimised hydrogen production by aqueous phase reforming of glycerol on Pt/Al2O3 Year: 2016
Authors (5):
N. D. Subramanian, J. Callison, C. R. A. .Catlow, P. P. Wells, N. Dimitratos
Publisher: International Journal of Hydrogen Energy
DOI: 10.1016/j.ijhydene.2016.08.081 article-journal
Themes: Energy (2017)
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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: Probing pore blocking effects on multiphase reactions within porous catalyst particles using a discrete model Year: 2015
Authors (4):
G. Ye, X. Zhou, W. Yuan, M. -O. Coppens
Publisher: AIChE Journal
DOI: 10.1002/aic.15095 article-journal
Themes: Design (2016)
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Title: Influence of catalyst pore network structure on the hysteresis of multiphase reactions Year: 2016
Authors (5):
G. Ye, X. Zhou, J. Zhou, W. Yuan, M. -O. Coppens
Publisher: AIChE Journal
DOI: 10.1002/aic.15415 article-journal
Themes: Design (2016)
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Title: The Nature of the Molybdenum Surface in Iron Molybdate. The Active Phase in Selective Methanol Oxidation Year: 2014
Authors (12):
C. Brookes, P. P. Wells, N. Dimitratos, W. Jones, E. K. Gibson, D. J. Morgan, G. Cibin, C. Nicklin, D. Mora-Fonz, D. O. Scanlon, C. R. A. .Catlow, M. Bowker
Publisher: The Journal of Physical Chemistry C
DOI: 10.1021/jp5081753 article-journal
Themes: Design (2014), BAG (2014)
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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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