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: Synthesis and characterisation of polyamides based on 2,5-furandicarboxylic acid as a sustainable building block for engineering plastics Year: 2022
Authors (5):
M. Kamran, M. G. Davidson, S. de Vos, V. Tsanaktsis, B. Yeniad
Publisher: Polymer Chemistry
DOI: 10.1039/d2py00189f journal-article
Themes: Circular Economy (2022)
|
Title: Kinetic Analysis of Glycerol Esterification Using Tin Exchanged Tungstophosphoric Acid on K-10 Year: 2022
Authors (4):
J. Keogh, C. Jeffrey, M. S. Tiwari, H. G. Manyar
Publisher: Industrial & Engineering Chemistry Research
DOI: 10.1021/acs.iecr.2c01930 journal-article
Themes: Water-Energy (2022)
|
Title: Phosphorus Removal from Dirty Farmyard Water by Activated Anaerobic-Digestion-Derived Biochar Year: 2022
Authors (5):
C. Zhang, S. Sun, S. Xu, C. Johnston, C. Wu
Publisher: Industrial & Engineering Chemistry Research
DOI: 10.1021/acs.iecr.2c02668 journal-article
Themes: Core (2022)
|
Title: Techno-Economic Assessment and Sensitivity Analysis of Glycerol Valorization to Biofuel Additives via Esterification Year: 2023
Authors (6):
K. Pandit, C. Jeffrey, J. Keogh, M. S. Tiwari, N. Artioli, H. G. Manyar
Publisher: Industrial & Engineering Chemistry Research
DOI: 10.1021/acs.iecr.3c00964 journal-article
Themes: Water-Energy (2023)
|
Title: Study of CO2 permeation in Zn2+‐modified Al2O3‐carbonate membrane Year: 2023
Authors (2):
L. Qu, E. I. Papaioannou
Publisher: Journal of the American Ceramic Society
DOI: 10.1111/jace.19216 journal-article
Themes: Water-Energy (2023)
|