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)
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Title: Observation of visible light activated photocatalytic degradation of stearic acid on thin films of tantalum oxynitride synthesized by aerosol assisted chemical vapour deposition Year: 2019
Authors (4):
V. Celorrio, S. D. Cosham, G. Hyett, A. N. Kulak
Publisher: Dalton Transactions
DOI: 10.1039/c8dt04638g article-journal
Themes: Collaborations (2019), BAG (2019)
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Title: Synthesis, characterisation and water–gas shift activity of nano-particulate mixed-metal (Al, Ti) cobalt oxides Year: 2019
Authors (10):
C. R. A. .Catlow, M. Claeys, N. Fischer, E. K. Gibson, N. T. J. .Luchters, W. Marquart, J. H. Neethling, E. J. Olivier, S. J. Roberts, M. Wolf
Publisher: Dalton Transactions
DOI: 10.1039/c9dt01634a article-journal
Themes: Collaborations (2019)
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Title: Development and characterization of thermally stable supported V–W–TiO2 catalysts for mobile NH3–SCR applications Year: 2014
Authors (4):
A. M. Beale, I. Lezcano-González, T. Maunula, R. G. Palgrave
Publisher: Catalysis, Structure & Reactivity
DOI: 10.1179/2055075814y.0000000005 article-journal
Themes: BAG (2014)
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Title: Destruction of chemical warfare agent simulants by air and moisture stable metal NHC complexes Year: 2018
Authors (3):
C. Weetman, S. Notman, P. L. Arnold
Publisher: Dalton Transactions
DOI: 10.1039/c7dt04805j article-journal
Themes: Transformations (2018)
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Title: Applications of boroxide ligands in supporting small molecule activation by U(iii) and U(iv) complexes Year: 2019
Authors (6):
P. L. Arnold, L. Puig-Urrea, J. A. L. .Wells, D. Yuan, F. L. Cruickshank, R. D. Young
Publisher: Dalton Transactions
DOI: 10.1039/c8dt05051a article-journal
Themes: Transformations (2019)
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Title: Heteroleptic, two-coordinate M(NHC){N(SiMe3)2}] (M = Co, Fe) complexes: synthesis, reactivity and magnetism rationalized by an unexpected metal oxidation state Year: 2017
Authors (11):
A. A. Danopoulos, P. Braunstein, K. Y. Monakhov, J. van Leusen, P. Kögerler, M. Clémancey, J. -M. Latour, A. Benayad, M. Tromp, E. Rezabal, G. Frison
Publisher: Dalton Transactions
DOI: 10.1039/c6dt03565e article-journal
Themes: BAG (2017)
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Title: Understanding the mechanochemical synthesis of the perovskite LaMnO3 and its catalytic behaviour Year: 2020
Authors (10):
R. H. Blackmore, M. E. Rivas, T. Eralp Erden, T. Dung Tran, H. R. Marchbank, D. Ozkaya, M. Briceno de Gutierrez, A. Wagland, P. Collier, P. P. Wells
Publisher: Dalton Transactions
DOI: 10.1039/c9dt03590g article-journal
Themes: Design (2020)
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Title: Mechanism of CO2 conversion to methanol over Cu(110) and Cu(100) surfaces Year: 2020
Authors (3):
M. Higham, M. G. Quesne, C. R. A. .Catlow
Publisher: Dalton Transactions
DOI: 10.1039/d0dt00754d article-journal
Themes: New Catalysts (2020), Featured (2020)
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Title: Computational studies of DNA base repair mechanisms by nonheme iron dioxygenases: selective epoxidation and hydroxylation pathways Year: 2020
Authors (5):
R. Latifi, J. L. Minnick, M. G. Quesne, S. P. de Visser, L. Tahsini
Publisher: Dalton Transactions
DOI: 10.1039/d0dt00007h article-journal
Themes: New Catalysts (2020)
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