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: Mechanistic Aspects of Hydrodeoxygenation of p-Methylguaiacol over Rh/Silica and Pt/Silica Year: 2018
Authors (7):
F. P. Bouxin, X. Zhang, I. N. Kings, A. F. Lee, M. J. .H. .Simmons, K. Wilson, S. D. Jackson
Publisher: Organic Process Research & Development
DOI: 10.1021/acs.oprd.8b00211 article-journal
Themes: Energy (2018)
|
Title: Operando Generated Ordered Heterogeneous Catalyst for the Selective Conversion of CO2 to Methanol Year: 2021
Authors (11):
A. Cherevotan, J. Raj, L. Dheer, S. Roy, S. Sarkar, R. Das, C. P. Vinod, S. Xu, P. P. Wells, U. V. Waghmare, S. C. Peter
Publisher: ACS Energy Letters
DOI: 10.1021/acsenergylett.0c02614 article-journal
Themes: Collaborations (2021)
|
Title: Non-thermal plasma catalysis for CO2 conversion and catalyst design for the process Year: 2021
Authors (4):
S. Xu, H. Chen, C. Hardacre, X. Fan
Publisher: Journal of Physics D: Applied Physics
DOI: 10.1088/1361-6463/abe9e1 article-journal
Themes: Water-Energy (2021)
|
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: Precious-metal-free catalyst could afford cost-effective green hydrogen Year: 2022
Authors (2):
L. A. King, Y. N. Regmi
Publisher: Chem
DOI: 10.1016/j.chempr.2022.05.012 journal-article
Themes: Water-Energy (2022)
|
Title: CO2 capture over steam and KOH activated biochar: Effect of relative humidity Year: 2022
Authors (4):
C. Zhang, S. Sun, S. Xu, C. Wu
Publisher: Biomass and Bioenergy
DOI: 10.1016/j.biombioe.2022.106608 journal-article
Themes: Core (2022)
|