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Insights into the deviation from piecewise linearity in transition metal complexes from supervised machine learning models.
Phys Chem Chem Phys. 2023 Mar 15;25(11):8103-8116. doi: 10.1039/d3cp00258f.
Phys Chem Chem Phys. 2023.
PMID: 36876903
Ligand Additivity and Divergent Trends in Two Types of Delocalization Errors from Approximate Density Functional Theory.
Cytter Y, Nandy A, Bajaj A, Kulik HJ.
Cytter Y, et al.
J Phys Chem Lett. 2022 May 26;13(20):4549-4555. doi: 10.1021/acs.jpclett.2c01026. Epub 2022 May 17.
J Phys Chem Lett. 2022.
PMID: 35579948
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Large-scale comparison of 3d and 4d transition metal complexes illuminates the reduced effect of exchange on second-row spin-state energetics.
Nandy A, Chu DBK, Harper DR, Duan C, Arunachalam N, Cytter Y, Kulik HJ.
Nandy A, et al. Among authors: cytter y.
Phys Chem Chem Phys. 2020 Sep 8;22(34):19326-19341. doi: 10.1039/d0cp02977g.
Phys Chem Chem Phys. 2020.
PMID: 32820781
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Time is honey: circadian clocks of bees and flowers and how their interactions may influence ecological communities.
Bloch G, Bar-Shai N, Cytter Y, Green R.
Bloch G, et al. Among authors: cytter y.
Philos Trans R Soc Lond B Biol Sci. 2017 Nov 19;372(1734):20160256. doi: 10.1098/rstb.2016.0256.
Philos Trans R Soc Lond B Biol Sci. 2017.
PMID: 28993499
Free PMC article.
Review.
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Stochastic Optimally Tuned Range-Separated Hybrid Density Functional Theory.
Neuhauser D, Rabani E, Cytter Y, Baer R.
Neuhauser D, et al. Among authors: cytter y.
J Phys Chem A. 2016 May 19;120(19):3071-8. doi: 10.1021/acs.jpca.5b10573. Epub 2015 Dec 22.
J Phys Chem A. 2016.
PMID: 26651840
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Metropolis Evaluation of the Hartree-Fock Exchange Energy.
Cytter Y, Neuhauser D, Baer R.
Cytter Y, et al.
J Chem Theory Comput. 2014 Oct 14;10(10):4317-23. doi: 10.1021/ct500450w.
J Chem Theory Comput. 2014.
PMID: 26588128
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