Title: Computational QM/MM investigation of the adsorption of MTH active species in H-Y and H-ZSM-5 Year: 2019
Authors (4):
S. A. F. .Nastase, A. J. O'Malley, C. R. A. .Catlow, A. J. Logsdail
Publisher: Physical Chemistry Chemical Physics
DOI: 10.1039/c8cp06736h article-journal
Themes: Design (2018)
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Title: Pd local structure and size correlations to the activity of Pd/TiO2 for photocatalytic reforming of methanol Year: 2019
Authors (6):
N. Abdullah, H. Bahruji, S. M. Rogers, P. P. Wells, C. R. A. .Catlow, M. Bowker
Publisher: Physical Chemistry Chemical Physics
DOI: 10.1039/c9cp00826h article-journal
Themes: Design (2019), Environment (2019), BAG (2019)
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Title: Emergence of a Negative Activation Heat Capacity during Evolution of a Designed Enzyme Year: 2019
Authors (7):
H. A. Bunzel, D. Hilvert, H. Kries, L. Marchetti, P. R. E. .Mittl, A. J. Mulholland, C. Zeymer
Publisher: Journal of the American Chemical Society
DOI: 10.1021/jacs.9b02731 article-journal
Themes: Biocatalysis (2019)
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Title: An experimental and computational IR and hybrid DFT-D3 study of the conformations of l-lactic and acrylic acid: new insight into the dehydration mechanism of lactic acid to acrylic acid Year: 2019
Authors (2):
C. D. Zeinalipour-Yazdi, C. R. A. .Catlow
Publisher: Physical Chemistry Chemical Physics
DOI: 10.1039/c9cp02968k article-journal
Themes: Design (2019)
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Title: Promotion Mechanisms of Au Supported on TiO2 in Thermal- and Photocatalytic Glycerol Conversion Year: 2019
Authors (14):
Y. Shen, A. Mamakhel, X. Liu, T. W. Hansen, T. Tabanelli, D. Bonincontro, B. B. Iversen, L. Prati, Y. Li, J. W. . (H. )Niemantsverdriet, G. J. Hutchings, N. Dimitratos, A. Villa, R. Su
Publisher: The Journal of Physical Chemistry C
DOI: 10.1021/acs.jpcc.9b05475 article-journal
Themes: Design (2019)
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Title: Understanding the Dynamics of Fluorescence Emission during Zeolite Detemplation Using Time Resolved Photoluminescence Spectroscopy Year: 2019
Authors (7):
N. Omori, A. G. Greenaway, M. Sarwar, P. Collier, G. Valentini, A. M. Beale, A. Candeo
Publisher: The Journal of Physical Chemistry C
DOI: 10.1021/acs.jpcc.9b09050 journal-article
Themes: Design (2019)
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Title: Mechanisms of ammonia and hydrazine synthesis on η-Mn3N2-(100) surfaces Year: 2019
Authors (1):
C. D. Zeinalipour-Yazdi
Publisher: Physical Chemistry Chemical Physics
DOI: 10.1039/c9cp03934a journal-article
Themes: Design (2019)
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