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Where Does the Density Localize? Convergent Behavior for Global Hybrids, Range Separation, and DFT+U.
J Chem Theory Comput. 2016 Dec 13;12(12):5931-5945. doi: 10.1021/acs.jctc.6b00937. Epub 2016 Nov 16.
J Chem Theory Comput. 2016.
PMID: 27951665
molSimplify: A toolkit for automating discovery in inorganic chemistry.
Ioannidis EI, Gani TZ, Kulik HJ.
Ioannidis EI, et al. Among authors: gani tz.
J Comput Chem. 2016 Aug 15;37(22):2106-17. doi: 10.1002/jcc.24437. Epub 2016 Jul 1.
J Comput Chem. 2016.
PMID: 27364957
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Unifying Exchange Sensitivity in Transition-Metal Spin-State Ordering and Catalysis through Bond Valence Metrics.
Gani TZH, Kulik HJ.
Gani TZH, et al.
J Chem Theory Comput. 2017 Nov 14;13(11):5443-5457. doi: 10.1021/acs.jctc.7b00848. Epub 2017 Nov 3.
J Chem Theory Comput. 2017.
PMID: 29049878
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A Machine Learning Approach to Zeolite Synthesis Enabled by Automatic Literature Data Extraction.
Jensen Z, Kim E, Kwon S, Gani TZH, Román-Leshkov Y, Moliner M, Corma A, Olivetti E.
Jensen Z, et al. Among authors: gani tzh.
ACS Cent Sci. 2019 May 22;5(5):892-899. doi: 10.1021/acscentsci.9b00193. Epub 2019 Apr 19.
ACS Cent Sci. 2019.
PMID: 31139725
Free PMC article.
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Promoting active site renewal in heterogeneous olefin metathesis catalysts.
Gani TZH, Berkson ZJ, Zhu R, Kang JH, Di Iorio JR, Chan KW, Consoli DF, Shaikh SK, Copéret C, Román-Leshkov Y.
Gani TZH, et al.
Nature. 2023 May;617(7961):524-528. doi: 10.1038/s41586-023-05897-w. Epub 2023 May 17.
Nature. 2023.
PMID: 37198312
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Ni nanoparticles supported on Al2O3 + La2O3 yolk-shell catalyst for photo-assisted thermal decomposition of methane.
Bian H, Gani TZH, Liu J, Hondo E, Lim KH, Zhang T, Li D, Liu SF, Yan J, Kawi S.
Bian H, et al. Among authors: gani tzh.
J Colloid Interface Sci. 2023 Aug;643:151-161. doi: 10.1016/j.jcis.2023.04.016. Epub 2023 Apr 7.
J Colloid Interface Sci. 2023.
PMID: 37058890
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