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)
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Title: Preliminary Investigation on the Electrochemical Activity of Butanol Isomers as Potential Fuel for Direct Alcohol Fuel Cell Year: 2015
Authors (5):
V. K. Puthiyapura, D. J. L. .Brett, A. E. Russell, W. -F. Lin, C. Hardacre
Publisher: ECS Transactions
DOI: 10.1149/06917.0809ecst article-journal
Themes: Energy (2015)
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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: Direct air capture: process technology, techno-economic and socio-political challenges Year: 2022
Authors (6):
M. Erans, E. S. Sanz-Pérez, D. P. Hanak, Z. Clulow, D. M. Reiner, G. A. Mutch
Publisher: Energy & Environmental Science
DOI: 10.1039/d1ee03523a journal-article
Themes: Circular Economy (2022)
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