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Revealing the structure of a catalytic combustion active-site ensemble combining uniform nanocrystal catalysts and theory insights.
Proc Natl Acad Sci U S A. 2020 Jun 30;117(26):14721-14729. doi: 10.1073/pnas.2002342117. Epub 2020 Jun 17.
Proc Natl Acad Sci U S A. 2020.
PMID: 32554500
Free PMC article.
Accessing the C-C transition state energy on transition metals.
Aljama H, Abild-Pedersen F.
Aljama H, et al.
Phys Chem Chem Phys. 2019 Dec 7;21(45):25328-25333. doi: 10.1039/c9cp04897a. Epub 2019 Nov 8.
Phys Chem Chem Phys. 2019.
PMID: 31701972
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Nature of Lone-Pair-Surface Bonds and Their Scaling Relations.
Kakekhani A, Roling LT, Kulkarni A, Latimer AA, Abroshan H, Schumann J, AlJama H, Siahrostami S, Ismail-Beigi S, Abild-Pedersen F, Nørskov JK.
Kakekhani A, et al. Among authors: aljama h.
Inorg Chem. 2018 Jun 18;57(12):7222-7238. doi: 10.1021/acs.inorgchem.8b00902. Epub 2018 Jun 4.
Inorg Chem. 2018.
PMID: 29863849
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Mechanistic insights into heterogeneous methane activation.
Latimer AA, Aljama H, Kakekhani A, Yoo JS, Kulkarni A, Tsai C, Garcia-Melchor M, Abild-Pedersen F, Nørskov JK.
Latimer AA, et al. Among authors: aljama h.
Phys Chem Chem Phys. 2017 Feb 1;19(5):3575-3581. doi: 10.1039/c6cp08003k.
Phys Chem Chem Phys. 2017.
PMID: 28094377
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Understanding trends in C-H bond activation in heterogeneous catalysis.
Latimer AA, Kulkarni AR, Aljama H, Montoya JH, Yoo JS, Tsai C, Abild-Pedersen F, Studt F, Nørskov JK.
Latimer AA, et al. Among authors: aljama h.
Nat Mater. 2017 Feb;16(2):225-229. doi: 10.1038/nmat4760. Epub 2016 Oct 10.
Nat Mater. 2017.
PMID: 27723737
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Assessing the stability of Pd-exchanged sites in zeolites with the aid of a high throughput quantum chemistry workflow.
Aljama HA, Head-Gordon M, Bell AT.
Aljama HA, et al.
Nat Commun. 2022 May 25;13(1):2910. doi: 10.1038/s41467-022-29505-z.
Nat Commun. 2022.
PMID: 35614062
Free PMC article.
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Formation of Reversible Clusters with Controlled Degree of Aggregation.
Lotfizadeh S, Aljama H, Reilly D, Matsoukas T.
Lotfizadeh S, et al. Among authors: aljama h.
Langmuir. 2016 May 17;32(19):4862-7. doi: 10.1021/acs.langmuir.6b00746. Epub 2016 May 6.
Langmuir. 2016.
PMID: 27124089
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