Title: Projector-Based Embedding Eliminates Density Functional Dependence for QM/MM Calculations of Reactions in Enzymes and Solution Year: 2019
Authors (8):
S. J. Bennie, N. Lawan, S. J. Macrae, F. R. Manby, A. J. Mulholland, K. E. Ranaghan, D. Shchepanovska, J. Zurek
Publisher: Journal of Chemical Information and Modeling
DOI: 10.1021/acs.jcim.8b00940 article-journal
Themes: Biocatalysis (2019)
|
Title: Multiscale Workflow for Modeling Ligand Complexes of Zinc Metalloproteins Year: 2021
Authors (8):
Z. Yang, R. M. Twidale, S. Gervasoni, R. Suardíaz, C. K. Colenso, E. J. M. .Lang, J. Spencer, A. J. Mulholland
Publisher: Journal of Chemical Information and Modeling
DOI: 10.1021/acs.jcim.1c01109 journal-article
Themes: Biocatalysis (2021)
|
Title: Integrated CO2 capture and methanation on Ru/CeO2-MgO combined materials: Morphology effect from CeO2 support Year: 2022
Authors (5):
S. Sun, H. Sun, S. Guan, S. Xu, C. Wu
Publisher: Fuel
DOI: 10.1016/j.fuel.2022.123420 journal-article
Themes: Core (2022)
|
Title: Green synthesis of glycerol carbonate via transesterification of glycerol using mechanochemically prepared sodium aluminate catalysts Year: 2022
Authors (3):
J. Keogh, G. Deshmukh, H. G. Manyar
Publisher: Fuel
DOI: 10.1016/j.fuel.2021.122484 journal-article
Themes: Water-Energy (2022)
|
Title: Recent advances in processes and catalysts for glycerol carbonate production via direct and indirect use of CO2 Year: 2024
Authors (5):
P. Inrirai, J. Keogh, A. Centeno-Pedrazo, N. Artioli, H. G. Manyar
Publisher: Journal of CO2 Utilization
DOI: 10.1016/j.jcou.2024.102693 journal-article
Themes: Water-Energy (2024)
|