A single Mn atom supported by a boron-vacancy in a BN monolayer: An encouraging catalyst for CO oxidation

Authors: Naimatullah ^a, Yuan, Qinqin ^{a, ⁎}, Cheng, Longjiu ^{a, b, ⁎}

Source: In Molecular Catalysis 15 June 2024 563

Prediction of a novel two-dimensional superatomic Cd6S2 monolayer for photocatalytic water splitting.

Authors: Wang, Zhifang, Gui, Zaijun, Yan, Chen, Li, Dan, Yuan, Qinqin, Cheng, Longjiu

Source: Journal of Chemical Physics; 10/7/2024, Vol. 161 Issue 13, p1-8, 8p

Subject Terms: CHEMICAL bonds, ANALYTICAL chemistry, ABSORPTION coefficients, LIGHT absorption, COVALENT bonds

Theoretical study on NO oxidation using single metal atom catalysis embedded graphene with N4 vacancy

Authors: Naimatullah, Yuan, Qinqin, Cheng, Longjiu

Source: In Computational and Theoretical Chemistry December 2023 1230

AlCl3 modified Pd/Al2O3 catalyst for enhanced anthraquinone hydrogenation

Authors: Yuan, Qinqin, Liang, Jingyue, Li, Wei, Zhang, Jinli, Guo, Cuili

Source: In Chinese Journal of Chemical Engineering December 2023 64:271-280

Unraveling the flexible aromaticity of C13H9+/0/−: a 2D superatomic-molecule theoryElectronic supplementary information (ESI) available. See DOI: https://doi.org/10.1039/d3cp00125c

Authors: Li, Dan, Yan, Chen, Yuan, Qinqin, Shi, Lili, Cheng, Longjiu

Source: Physical chemistry chemical physics. 25(12):8439-8445

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Photogeneration of singlet oxygen catalyzed by hexafluoroisopropanol for selective degradation of dyes

Authors: Han, Jia, Wang, Lei, Cao, Wenjin, Yuan, Qinqin, Zhou, Xiaoguo, Liu, Shilin, Wang, Xue-Bin

Source: In iScience 18 August 2023 26(8)

Analysis on Resonator Coupling Characteristics of Sub-THz EIA

Authors: Yuan, Qinqin, Yang, Ziqiang, Shi, Zongjun, Zhang, Ting, Tang, Xiaopin, Lan, Feng

Source: 2019 44th International Conference on Infrared, Millimeter, and Terahertz Waves (IRMMW-THz) Infrared, Millimeter, and Terahertz Waves (IRMMW-THz), 2019 44th International Conference on. :1-2 Sep, 2019

Relation: 2019 44th International Conference on Infrared, Millimeter, and Terahertz Waves (IRMMW-THz)

Theoretical study of multi-coordinated Xe(AuF)n (n = 2–4): Intriguing bond-bending isomerism

Authors: Luo, Dongze, Yuan, Qinqin, Cheng, Longjiu

Source: In Chemical Physics 15 January 2023 565

Functionalization of Electrodes with Tunable [EMIM]x[Cl]x+1− Ionic Liquid Clusters for Electrochemical Separations

Authors: Baxter, Eric T., Zhang, Jun, Tan, Shuai, Nguyen, Manh-Thuong, Zhang, Difan, Yuan, Qinqin, Cao, Wenjin, Wang, Xue-Bin, Prabhakaran, Venkateshkumar, Glezakou, Vassiliki-Alexandra

Source: Chemistry of materials. 34(6):2612-2623

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Unraveling hydridic-to-protonic dihydrogen bond predominance in monohydrated dodecaborate clustersElectronic supplementary information (ESI) available: Experimental and computational details, and additional experimental data. See https://doi.org/10.1039/d2sc03986a

Authors: Jiang, Yanrong, Yuan, Qinqin, Cao, Wenjin, Hu, Zhubin, Yang, Yan, Zhong, Cheng, Yang, Tao, Sun, Haitao, Wang, Xue-Bin, Sun, Zhenrong

Source: Chemical science. 13(34):9855-9860

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Theoretical study of the saturation and nature of the hydrogen bonds to gold.

Authors: Yuan, Qinqin¹ (AUTHOR) qinqinyuan@ahu.edu.cn, Feng, Wanwan¹ (AUTHOR), Cheng, Longjiu^1,2 (AUTHOR) clj@ustc.edu

Source: Journal of Chemical Physics. 11/7/2023, Vol. 159 Issue 17, p1-9. 9p.

Subject Terms: *HYDROGEN bonding, *ORBITAL interaction, *GOLD compounds, *GOLD, *STERIC hindrance, *GOLD clusters

Bonding Features of Period 3 and Period 1 Two-Dimensional Superatoms.

Authors: Ling, Mengxuan, Zheng, Yuanyuan, Yu, Xinlei, Yuan, Qinqin, Li, Dan, Cheng, Longjiu

Source: Journal of Physical Chemistry Letters; 1/30/2025, Vol. 16 Issue 4, p870-875, 6p

Assembling Gold Icosahedrons to Superatomic Molecules Mimicking the Bonding Rules in Molecules.

Authors: Yuan, Qinqin, Gao, Jiahao, Zheng, Yuanyuan, Xu, Chang, Cheng, Longjiu

Source: Inorganic Chemistry; 1/13/2025, Vol. 64 Issue 1, p452-459, 8p

Gaseous cyclodextrin-closo-dodecaborate complexes χCD·B12X122− (χ = α, β, and γ; X = F, Cl, Br, and I): electronic structures and intramolecular interactionsElectronic supplementary information (ESI) available. See DOI: 10.1039/d1cp01131f

Authors: Jiang, Yanrong, Yuan, Qinqin, Cao, Wenjin, Rohdenburg, Markus, Nierstenhöfer, Marc C., Li, Zhipeng, Yang, Yan, Zhong, Cheng, Jenne, Carsten, Warneke, Jonas, Sun, Haitao, Sun, Zhenrong, Wang, Xue-Bin

Source: Physical chemistry chemical physics. 23(24):13447-13457

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100121855494.0x000001&indx=1&recIds=ETOCvdc_100121855494.0x000001

(B3CB3)N2 Monolayer Consisting of CO2‑Type Superatomic Molecules with Sandwich Hexacoordinate Carbons.

Authors: Gui, Zaijun, Wang, Zhifang, Guo, Lijiao, Li, Dan, Yuan, Qinqin, Cheng, Longjiu

Source: Journal of Physical Chemistry A; 12/12/2024, Vol. 128 Issue 49, p10579-10586, 8p

How generic is iodide-tagging photoelectron spectroscopy: An extended investigation on the Gly·X⁻ (Gly = glycine, X = Cl or Br) complexes.

Authors: Cao, Wenjin¹ (AUTHOR), Yuan, Qinqin^1,2 (AUTHOR), Zhang, Hanhui^1,3 (AUTHOR), Zhou, Xiaoguo³ (AUTHOR) xzhou@ustc.edu.cn, Kass, Steven R.⁴ (AUTHOR) kass@umn.edu, Wang, Xue-Bin¹ (AUTHOR) xuebin.wang@pnnl.gov

Source: Journal of Chemical Physics. 7/21/2023, Vol. 159 Issue 3, p1-8. 8p.

Subject Terms: *PHOTOELECTRON spectroscopy, *GLYCINE, *COMPLEX ions, *ANIONS, *ISOMERS, *SPIN-orbit interactions, *HALIDES

How generic is iodide-tagging photoelectron spectroscopy: An extended investigation on the Gly·X− (Gly = glycine, X = Cl or Br) complexes

Authors: Cao, Wenjin, Yuan, Qinqin, Zhang, Hanhui, Zhou, Xiaoguo, Kass, Steven R., Wang, Xue-Bin

Source: Journal of chemical physics. 159(3)

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100187728831.0x000001&indx=1&recIds=ETOCvdc_100187728831.0x000001

(B3CB3)N2Monolayer Consisting of CO2-Type Superatomic Molecules with Sandwich Hexacoordinate Carbons

Authors: Gui, Zaijun, Wang, Zhifang, Guo, Lijiao, Li, Dan, Yuan, Qinqin, Cheng, Longjiu

Source: The Journal of Physical Chemistry - Part A; December 2024, Vol. 128 Issue: 49 p10579-10586, 8p

Synthesis, Electronic Properties and Reactivity of [B12X11(NO2)]2− (X=F–I) Dianions

Authors: Asmis, Knut R., Beele, Björn B., Jenne, Carsten, Kawa, Sebastian, Knorke, Harald, Nierstenhöfer, Marc C., Wang, Xue‐Bin, Warneke, Jonas, Warneke, Ziyan, Yuan, Qinqin

Source: Chemistry. 26(64):14594-14601

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Spectroscopic evidence for intact carbonic acid stabilized by halide anions in the gas phaseElectronic supplementary information (ESI) available: Optimized structures of the trans–trans neutral radicals (Fig. S1), electron density topological graphs (Fig. S2), NPA charge distributions (Fig. S3), schematic structures of all isomers of H2CO3·F− and their neutrals (Fig. S4), Frank–Condon simulated spectra for different isomers of H2CO3·F− (Fig. S5), binding energies of carbonic acid and halides (Table S1), topological properties of H2CO3·X− (Table S2), and relative energies and enthalpies of formation of H2CO3·X− in Isomer 1 conformation (Table S3). See DOI: 10.1039/d0cp02338h

Authors: Zhang, Hanhui, Cao, Wenjin, Yuan, Qinqin, Wang, Lei, Zhou, Xiaoguo, Liu, Shilin, Wang, Xue-Bin

Source: Physical chemistry chemical physics. 22(35):19459-19467

Availability: http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCvdc_100108102287.0x000001&indx=1&recIds=ETOCvdc_100108102287.0x000001