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Understanding carbon dioxide activation and carbon-carbon coupling over nickel.
Nat Commun. 2019 Nov 25;10(1):5330. doi: 10.1038/s41467-019-12858-3.
Nat Commun. 2019.
PMID: 31767838
Free PMC article.
Vibrational Fingerprinting of Defects Sites in Thin Films of Zeolitic Imidazolate Frameworks.
Weckhuysen BM, Öztürk Z, Brand RP, Boereboom JM, Meirer F.
Weckhuysen BM, et al. Among authors: boereboom jm.
Chemistry. 2019 Jun 18;25(34):8070-8084. doi: 10.1002/chem.201806414. Epub 2019 May 16.
Chemistry. 2019.
PMID: 30828879
Free PMC article.
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Explicit Solvation Matters: Performance of QM/MM Solvation Models in Nucleophilic Addition.
Boereboom JM, Fleurat-Lessard P, Bulo RE.
Boereboom JM, et al.
J Chem Theory Comput. 2018 Apr 10;14(4):1841-1852. doi: 10.1021/acs.jctc.7b01206. Epub 2018 Mar 16.
J Chem Theory Comput. 2018.
PMID: 29438621
Free PMC article.
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Toward Hamiltonian Adaptive QM/MM: Accurate Solvent Structures Using Many-Body Potentials.
Boereboom JM, Potestio R, Donadio D, Bulo RE.
Boereboom JM, et al.
J Chem Theory Comput. 2016 Aug 9;12(8):3441-8. doi: 10.1021/acs.jctc.6b00205. Epub 2016 Jul 11.
J Chem Theory Comput. 2016.
PMID: 27332140
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Towards a specific reaction parameter density functional for reactive scattering of H2 from Pd(111).
Boereboom JM, Wijzenbroek M, Somers MF, Kroes GJ.
Boereboom JM, et al.
J Chem Phys. 2013 Dec 28;139(24):244707. doi: 10.1063/1.4851355.
J Chem Phys. 2013.
PMID: 24387388
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The resonance Raman spectra of spheroidene revisited with a first-principles approach.
Boereboom JM, van Hemert MC, Neugebauer J.
Boereboom JM, et al.
Chemphyschem. 2011 Dec 9;12(17):3157-69. doi: 10.1002/cphc.201100545. Epub 2011 Sep 26.
Chemphyschem. 2011.
PMID: 21954132
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