Title: Benchmarking quantum mechanical methods for calculating reaction energies of reactions catalyzed by enzymes Year: 2020
Authors (5):
J. Sirirak, N. Lawan, M. W. van der Kamp, J. N. Harvey, A. J. Mulholland
Publisher: PeerJ Physical Chemistry
DOI: 10.7717/peerj-pchem.8 journal-article
Themes: Biocatalysis (2020)
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Title: Adsorbate-Induced Structural Evolution of Pd Catalyst for Selective Hydrogenation of Acetylene Year: 2020
Authors (8):
Y. Liu, F. Fu, A. J. McCue, W. Jones, D. Rao, J. Feng, Y. He, D. Li
Publisher: ACS Catalysis
DOI: 10.1021/acscatal.0c03897 journal-article
Themes: BAG (2020)
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Title: Mechanistic Insight into the Framework Methylation of H-ZSM-5 for Varying Methanol Loadings and Si/Al Ratios Using First-Principles Molecular Dynamics Simulations Year: 2020
Authors (7):
S. A. F. .Nastase, P. Cnudde, L. Vanduyfhuys, K. De Wispelaere, V. Van Speybroeck, C. R. A. .Catlow, A. J. Logsdail
Publisher: ACS Catalysis
DOI: 10.1021/acscatal.0c01454 journal-article
Themes: Collaborations (2020)
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Title: Isolated Pd Sites as Selective Catalysts for Electrochemical and Direct Hydrogen Peroxide Synthesis Year: 2020
Authors (7):
M. Ledendecker, E. Pizzutilo, G. Malta, G. V. Fortunato, K. J. J. .Mayrhofer, G. J. Hutchings, S. J. Freakley
Publisher: ACS Catalysis
DOI: 10.1021/acscatal.0c01305 journal-article
Themes: BAG (2020)
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