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: Biomass hydrodeoxygenation catalysts innovation from atomistic activity predictors Year: 2020
Authors (3):
F. Morteo-Flores, J. Engel, A. Roldan
Publisher: Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences
DOI: 10.1098/rsta.2020.0056 article-journal
Themes: Design (2020)
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Title: Catalysts for CO2/epoxide ring-opening copolymerization Year: 2016
Authors (3):
G. Trott, P. K. Saini, C. K. Williams
Publisher: Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences
DOI: 10.1098/rsta.2015.0085 article-journal
Themes: Transformations (2016)
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Title: Co-Processing Lignocellulosic Biomass and Sewage Digestate by Hydrothermal Carbonisation: Influence of Blending on Product Quality Year: 2022
Authors (6):
K. R. Parmar, A. E. Brown, J. M. Hammerton, M. A. Camargo-Valero, L. A. Fletcher, A. B. Ross
Publisher: Energies
DOI: 10.3390/en15041418 journal-article
Themes: Design (2022)
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Title: Cobalt atom sites anchored on sulfhydryl decorated UiO-66 to activate peroxymonosulfate for norfloxacin degradation Year: 2023
Authors (9):
H. Wang, C. Wang, X. Wang, Q. Chen, S. Liu, R. Cai, S. J. Haigh, Y. Sun, D. Yang
Publisher: NA
DOI: 10.1016/j.jece.2022.108972 journal-article
Themes: Circular Economy (2023)
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Title: Design, synthesis and applications of new families of chiral sulfonic acids Year: 2015
Authors (5):
P. Jakubec, M. E. Muratore, I. Aillaud, A. L. Thompson, D. J. Dixon
Publisher: Tetrahedron: Asymmetry
DOI: 10.1016/j.tetasy.2015.02.002 journal-article
Themes: Transformations (2015)
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Title: Integrated carbon capture and utilization: Synergistic catalysis between highly dispersed Ni clusters and ceria oxygen vacancies Year: 2022
Authors (12):
H. Sun, Y. Zhang, C. Wang, M. A. Isaacs, A. I. Osman, Y. Wang, D. Rooney, Y. Wang, Z. Yan, C. M. A. .Parlett, F. Wang, C. Wu
Publisher: NA
DOI: 10.1016/j.cej.2022.135394 journal-article
Themes: BAG (2022)
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Title: Integration of Hydrothermal Carbonisation and Anaerobic Digestion for the Energy Valorisation of Grass Year: 2022
Authors (4):
A. E. Brown, J. M. Hammerton, M. A. Camargo-Valero, A. B. Ross
Publisher: Energies
DOI: 10.3390/en15103495 journal-article
Themes: Design (2022)
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Title: Isolating the contributions of surface Sn atoms in the bifunctional behaviour of PtSn CO oxidation electrocatalysts Year: 2021
Authors (4):
H. Huang, O. F. Blackman, V. Celorrio, A. E. Russell
Publisher: NA
DOI: 10.1016/j.electacta.2021.138811 journal-article
Themes: BAG (2021)
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Title: Methanol diffusion and dynamics in zeolite H-ZSM-5 probed by quasi-elastic neutron scattering and classical molecular dynamics simulations Year: 2023
Authors (5):
S. K. Matam, I. P. Silverwood, L. Boudjema, A. J. O'Malley, C. R. A. .Catlow
Publisher: Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences
DOI: 10.1098/rsta.2022.0335 journal-article
Themes: New Catalysts (2023)
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