|
Title: QM/MM simulations identify the determinants of catalytic activity differences between type II dehydroquinase enzymes Year: 2018
Authors (4):
E. Lence, M. W. van der Kamp, C. González-Bello, A. J. Mulholland
Publisher: Organic & Biomolecular Chemistry
DOI: 10.1039/c8ob00066b article-journal
Themes: Biocatalysis (2018)
|
|
Title: QM/MM study of the stability of dimethyl ether in zeolites H-ZSM-5 and H-Y Year: 2021
Authors (3):
S. A. F. .Nastase, C. R. A. .Catlow, A. J. Logsdail
Publisher: Physical Chemistry Chemical Physics
DOI: 10.1039/d0cp05392a journal-article
Themes: Collaborations (2021)
|
|
Title: Quantifying CO2 Insertion Equilibria for Low-Pressure Propene Oxide and Carbon Dioxide Ring Opening Copolymerization Catalysts Year: 2024
Authors (4):
K. H. S. .Eisenhardt, F. Fiorentini, W. Lindeboom, C. K. Williams
Publisher: Journal of the American Chemical Society
DOI: 10.1021/jacs.3c13959 journal-article
Themes: Circular Economy (2024)
|
|
Title: Quantitative production of butenes from biomass-derived γ-valerolactone catalysed by hetero-atomic MFI zeolite Year: 2020
Authors (17):
L. Lin, A. M. Sheveleva, I. da Silva, C. M. A. .Parlett, Z. Tang, Y. Liu, M. Fan, X. Han, J. H. Carter, F. Tuna, E. J. L. .McInnes, Y. Cheng, L. L. Daemen, S. Rudić, A. J. Ramirez-Cuesta, C. C. Tang, S. Yang
Publisher: Nature Materials
DOI: 10.1038/s41563-019-0562-6 article-journal
Themes: BAG (2020)
|
|
Title: Quantum Confined High-Entropy Lanthanide Oxysulfide Colloidal Nanocrystals Year: 2022
Authors (10):
B. Ward-O’Brien, P. D. McNaughter, R. Cai, A. Chattopadhyay, J. M. Flitcroft, C. T. Smith, D. J. Binks, J. M. Skelton, S. J. Haigh, D. J. Lewis
Publisher: Nano Letters
DOI: 10.1021/acs.nanolett.2c01596 journal-article
Themes: Circular Economy (2022)
|
|
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: 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: Rapid Plasma Exsolution from an A‐site Deficient Perovskite Oxide at Room Temperature Year: 2022
Authors (12):
H. Khalid, A. U. Haq, B. Alessi, J. Wu, C. D. Savaniu, K. Kousi, I. S. Metcalfe, S. C. Parker, J. T. S. .Irvine, P. Maguire, E. I. Papaioannou, D. Mariotti
Publisher: Advanced Energy Materials
DOI: 10.1002/aenm.202201131 journal-article
Themes: Circular Economy (2022)
|
|
Title: Rapid synthesis of [Au25(Cys)18] nanoclusters via carbon monoxide in microfluidic liquid-liquid segmented flow system and their antimicrobial performance Year: 2020
Authors (9):
H. Huang, G. B. Hwang, G. Wu, K. Karu, H. Du Toit, H. Wu, J. Callison, I. P. Parkin, A. Gavriilidis
Publisher: Chemical Engineering Journal
DOI: 10.1016/j.cej.2019.123176 article-journal
Themes: Core (2020)
|
|
Title: ReOx/TiO2: A Recyclable Solid Catalyst for Deoxydehydration Year: 2015
Authors (5):
L. Sandbrink, E. Klindtworth, H. -U. Islam, A. M. Beale, R. Palkovits
Publisher: ACS Catalysis
DOI: 10.1021/acscatal.5b01936 article-journal
Themes: BAG (2016)
|