Search Results - "WU, Yabei" :: K.UTB vyhledávací portál

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Stability and Electronic Properties of Mixed Rare-Earth Tri-Metallofullerenes YxDy3-x@C80 (x = 1 or 2)

by Wu, Yabei, Zhou, Zhonghao, Wang, Zhiyong
Published in Molecules (Basel, Switzerland) (01.01.2024)

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Advancing first-principles dielectric property prediction of complex microwave materials: an elemental-unit decomposition approach

by Wu, Yabei, Zhang, Peihong, Zhang, Wenqing
Published in npj computational materials (13.08.2024)

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Stability and Electronic Properties of 1D and 2D Ca@C60 Oligomers and Polymers

by Wu, Yabei, Zhou, Zhonghao, Wang, Zhiyong
Published in Inorganics (01.02.2024)

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Estimating Shape and Micro-Motion Parameter of Rotationally Symmetric Space Objects from the Infrared Signature

by Wu, Yabei, Lu, Huanzhang, Zhao, Fei, Zhang, Zhiyong
Published in Sensors (Basel, Switzerland) (17.10.2016)

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Prediction of protected band edge states and dielectric tunable quasiparticle and excitonic properties of monolayer MoSi2N4

by Wu, Yabei, Tang, Zhao, Xia, Weiyi, Gao, Weiwei, Jia, Fanhao, Zhang, Yubo, Zhu, Wenguang, Zhang, Wenqing, Zhang, Peihong
Published in npj computational materials (15.06.2022)

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Combined subsampling and analytical integration for efficient large-scale GW calculations for 2D systems

by Xia, Weiyi, Gao, Weiwei, Lopez-Candales, Gabriel, Wu, Yabei, Ren, Wei, Zhang, Wenqing, Zhang, Peihong
Published in npj computational materials (06.08.2020)

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Prediction of MXene based 2D tunable band gap semiconductors: GW quasiparticle calculations

by Zhang, Yujuan, Xia, Weiyi, Wu, Yabei, Zhang, Peihong
Published in Nanoscale (07.03.2019)

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Stability and Electronic Properties of Mixed Rare-Earth Tri-Metallofullerenes YxDy[sub.3-x]@C[sub.80]

by Wu, Yabei, Zhou, Zhonghao, Wang, Zhiyong
Published in Molecules (Basel, Switzerland) (01.01.2024)

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Antiaromaticity-aromaticity transition of cyclo[16]carbon upon metal encapsulation

by Jiang, Yuhang, Wu, Yabei, Deng, Jianjun, Wang, Zhiyong
Published in Physical chemistry chemical physics : PCCP (14.04.2021)

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Regioselective Diels–Alder Reactions of C70 Directed by Endohedral Ca and Th Atoms

by Wu, Yabei, Jiang, Yuhang, Zhang, Xingchen, Wang, Zhiyong
Published in Organometallics (11.12.2023)

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Regioselective Diels–Alder Reactions of C 70 Directed by Endohedral Ca and Th Atoms

by Wu, Yabei, Jiang, Yuhang, Zhang, Xingchen, Wang, Zhiyong
Published in Organometallics (11.12.2023)

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Capturing unconventional metallofullerene M@C 60 through activation of the unreactive [5,6] bond toward Diels–Alder reaction

by Wu, Yabei, Jiang, Yuhang, Deng, Jianjun, Wang, Zhiyong
Published in Physical chemistry chemical physics : PCCP (14.11.2020)

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2D selenium allotropes from first principles and swarm intelligence

by Liu, Chao, Hu, Tao, Wu, Yabei, Gao, Heng, Yang, Yali, Ren, Wei
Published in Journal of physics. Condensed matter (12.06.2019)

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Dual Stabilization of a Tri‐Metallofullerene Radical Er3@C80: Exohedral Derivatization and Endohedral Three‐Center Bonding

by Wu, Yabei, Zhou, Zhonghao, Xu, Dan, Jiang, Yuhang, Zhou, Dingyi, Wang, Zhiyong
Published in Chemphyschem (02.05.2024)

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Dual Stabilization of a Tri-Metallofullerene Radical Er 3 @C 80 : Exohedral Derivatization and Endohedral Three-Center Bonding

by Wu, Yabei, Zhou, Zhonghao, Xu, Dan, Jiang, Yuhang, Zhou, Dingyi, Wang, Zhiyong
Published in Chemphyschem (02.05.2024)

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Capturing unconventional metallofullerene M@C through activation of the unreactive [5,6] bond toward Diels-Alder reaction

by Wu, Yabei, Jiang, Yuhang, Deng, Jianjun, Wang, Zhiyong
Published in Physical chemistry chemical physics : PCCP (04.11.2020)

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Stability and Electronic Properties of Mixed Rare-Earth Tri-Metallofullerenes YxDy 3-x @C 80 (x = 1 or 2)

by Wu, Yabei, Zhou, Zhonghao, Wang, Zhiyong
Published in Molecules (Basel, Switzerland) (16.01.2024)

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Stability and Electronic Properties of 1D and 2D Ca@C[sub.60] Oligomers and Polymers

by Wu, Yabei, Zhou, Zhonghao, Wang, Zhiyong
Published in Inorganics (01.01.2024)

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Redox Modulation of the Reactivity and Regioselectivity in Diels-Alder Reaction of Metallofullerene La@C 82 with Cyclopentadiene

by Bao, Hanling, Wu, Yabei, Jiang, Yuhang, Zhang, Hao, Wang, Zhiyong
Published in Chemistry, an Asian journal (04.01.2021)

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First principles study of a triazine-based covalent organic framework as a high-capacity anode material for Na/K-ion batteries

by Liu, Sitong, Liu, Bo, Yu, Meidong, Gao, Hanyu, Guo, Haipeng, Jiang, Daguo, Yang, Shenbo, Wen, Yufeng, Wu, Yabei
Published in Physical chemistry chemical physics : PCCP (03.01.2024)

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