Yao YF - Search Results

1

Handling Ensemble N-Representability Constraint in Explicit-by-Implicit Manner.

Yao YF, Fang WH, Su NQ. Yao YF, et al. J Phys Chem Lett. 2021 Jul 29;12(29):6788-6793. doi: 10.1021/acs.jpclett.1c01835. Epub 2021 Jul 16. J Phys Chem Lett. 2021. PMID: 34270236

2

Explicit-by-Implicit Treatment of Natural Orbital Occupations Using First- and Second-Order Optimization Algorithms: A Comparative Study.

Yao YF, Zhang Z, Fang WH, Su NQ. Yao YF, et al. J Phys Chem A. 2022 Aug 25;126(33):5654-5662. doi: 10.1021/acs.jpca.2c02345. Epub 2022 Aug 11. J Phys Chem A. 2022. PMID: 35950981

3

Enhancing Reduced Density Matrix Functional Theory Calculations by Coupling Orbital and Occupation Optimizations.

Yao YF, Su NQ. Yao YF, et al. J Phys Chem A. 2024 Sep 12;128(36):7669-7679. doi: 10.1021/acs.jpca.4c02182. Epub 2024 Aug 29. J Phys Chem A. 2024. PMID: 39207020

4

First-principles theoretical study on dry reforming of methane over perfect and boron-vacancy-containing h-BN sheet-supported Ni catalysts.

Zhang Y , Yao YF , Qiao YY , Wang GC . Zhang Y , et al. Among authors: yao yf. Phys Chem Chem Phys. 2021 Jan 6;23(1):617-627. doi: 10.1039/d0cp04732e. Phys Chem Chem Phys. 2021. PMID: 33331372

5

Spectroscopic Measurement of a Halogen Bond Energy.

Zhang X, Liu G, Ciborowski S, Wang W, Gong C, Yao Y, Bowen K. Zhang X, et al. Angew Chem Int Ed Engl. 2019 Aug 12;58(33):11400-11403. doi: 10.1002/anie.201906279. Epub 2019 Jul 25. Angew Chem Int Ed Engl. 2019. PMID: 31187592

6

Boosting the Sustained Release Performance of Metronidazole and Ornidazole with MIL-53(Fe) Derived Spherical Porous Carbon.

Wu D, Lin H, Zhan T, Ren X, Yao Y, Ma N, Dai W. Wu D, et al. Langmuir. 2024 Dec 17;40(50):26696-26705. doi: 10.1021/acs.langmuir.4c03833. Epub 2024 Dec 6. Langmuir. 2024. PMID: 39642390

7

Multifunctional Fe3O4@TiO2@Au magnetic microspheres as recyclable substrates for surface-enhanced Raman scattering.

Zhang X, Zhu Y, Yang X, Zhou Y, Yao Y, Li C. Zhang X, et al. Nanoscale. 2014 Jun 7;6(11):5971-9. doi: 10.1039/c4nr00975d. Epub 2014 Apr 29. Nanoscale. 2014. PMID: 24777634

8

Iron Carbide Nanoparticles Encapsulated in Mesoporous Fe-N-Doped Graphene-Like Carbon Hybrids as Efficient Bifunctional Oxygen Electrocatalysts.

Jiang H, Yao Y, Zhu Y, Liu Y, Su Y, Yang X, Li C. Jiang H, et al. ACS Appl Mater Interfaces. 2015 Sep 30;7(38):21511-20. doi: 10.1021/acsami.5b06708. Epub 2015 Sep 21. ACS Appl Mater Interfaces. 2015. PMID: 26371772

9

Hollow mesoporous NiCo2O4 nanocages as efficient electrocatalysts for oxygen evolution reaction.

Lv X, Zhu Y, Jiang H, Yang X, Liu Y, Su Y, Huang J, Yao Y, Li C. Lv X, et al. Dalton Trans. 2015 Mar 7;44(9):4148-54. doi: 10.1039/c4dt03803g. Dalton Trans. 2015. PMID: 25623183

10

Monitoring technology for Cr(VI) adsorption and reduction by operando NMR spectroscopy.

Zhou H, You XM, Wang XL, Yao YF. Zhou H, et al. Among authors: yao yf. Chem Commun (Camb). 2025 Jan 14. doi: 10.1039/d4cc05714g. Online ahead of print. Chem Commun (Camb). 2025. PMID: 39808412

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