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)
|
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)
|
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)
|
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)
|
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)
|
Title: Understanding the role of promoters in catalysis: operando XAFS/DRIFTS study of CeOx/Pt/Al2O3 during CO oxidation Year: 2017
Authors (6):
E. K. Gibson, E. M. .Crabb, D. Gianolio, A. E. Russell, D. Thompsett, P. P. Wells
Publisher: Catalysis, Structure & Reactivity
DOI: 10.1080/2055074x.2017.1278890 article-journal
Themes: Design (2017), BAG (2017)
|
Title: Photocatalytic hydrogen production by reforming of methanol using Au/TiO2, Ag/TiO2and Au-Ag/TiO2catalysts Year: 2014
Authors (8):
J. Kennedy, W. Jones, D. J. Morgan, M. Bowker, L. Lu, C. J. Kiely, P. P. Wells, N. Dimitratos
Publisher: Catalysis, Structure & Reactivity
DOI: 10.1179/2055075814y.0000000006 article-journal
Themes: Design (2015)
|
Title: Selectivity determinants for dual function catalysts: applied to methanol selective oxidation on iron molybdate Year: 2015
Authors (6):
M. Bowker, M. House, A. Alshehri, C. Brookes, E. K. Gibson, P. P. Wells
Publisher: Catalysis, Structure & Reactivity
DOI: 10.1179/2055075815y.0000000002 article-journal
Themes: Design (2015), BAG (2015)
|
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)
|
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)
|