Concentric dual π aromaticity in bowl-like B30cluster: an all-boron analogue of corannulene

Kang Wang, Da-Zhi Li, Rui Li, Lin-Yan Feng, Ying-Jin Wang and Hua-Jin Zhai

Phys. Chem. Chem. Phys., 2016, 18, 23304
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Structures and electronic properties of exohedral metalloborospherenes Al12Li20&B60 and Al20Li12&B60 and their endohedral systems: push electron oxidation of super-reduced polyanionic states B6050− and B6060−

Weihong Chen, Jiayuan Liu, Weiming Sun, Shansheng Yu, Ying Li and Zhiru Li

New J. Chem., 2024, 48, 13937
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Quasi-planar aromatic B36and B36−clusters: all-boron analogues of coronene

Qiang Chen, Guang-Feng Wei, Wen-Juan Tian, Hui Bai, Zhi-Pan Liu, Hua-Jin Zhai and Si-Dian Li

Phys. Chem. Chem. Phys., 2014, 16, 18282
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B12Fn0/−(n= 1–6) series: when do boron double chain nanoribbons become global minima?

Hui Bai, Bing Bai, Lin Zhang, Wei Huang, Hua-Jin Zhai and Si-Dian Li

Phys. Chem. Chem. Phys., 2017, 19, 31655
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Triple-chain boron clusters: lengthening via phosphorus doping and enhancing stability through {P} by {CH} substitution

Long Van Duong, Nguyen Minh Tam, Amir Karton and Minh Tho Nguyen

Dalton Trans., 2024, 53, 18528
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Ternary B2X2H2(X = O and S) rhombic clusters and their potential use as inorganic ligands in sandwich-type (B2X2H2)2Ni complexes

Da-Zhi Li, Li-Juan Zhang, Ting Ou, Hai-Xia Zhang, Ling Pei, Hua-Jin Zhai and Si-Dian Li

Phys. Chem. Chem. Phys., 2015, 17, 16798
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Theoretical prediction of chiral actinide endohedral borospherenes

Naixin Zhang, Ailin Li, Congzhi Wang, Qunyan Wu, Jianhui Lan, Zhifang Chai, Yubao Zhao and Weiqun Shi

New J. Chem., 2021, 45, 6803
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Silicon doped boron clusters: how to make stable ribbons?

Long Van Duong and Minh Tho Nguyen

Phys. Chem. Chem. Phys., 2017, 19, 14913
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Actinide-doped boron clusters: from borophenes to borospherenes

Nai-Xin Zhang, Cong-Zhi Wang, Jian-Hui Lan, Qun-Yan Wu, Zhi-Fang Chai and Wei-Qun Shi

Phys. Chem. Chem. Phys., 2022, 24, 29705
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Highly stable actinide(iii) complexes supported by doubly aromatic ligands

Naixin Zhang, Congzhi Wang, Qunyan Wu, Jianhui Lan, Zhifang Chai and Weiqun Shi

Phys. Chem. Chem. Phys., 2022, 24, 5921
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A theoretical approach to the role of different types of electrons in planar elongated boron clusters

Long Van Duong, Dang Thi Tuyet Mai, My Phuong Pham-Ho and Minh Tho Nguyen

Phys. Chem. Chem. Phys., 2019, 21, 13030
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Structural transition upon hydrogenation of B20 at different charge states: from tubular to disk-like, and to cage-like

Bing Bai and Hui Bai

Phys. Chem. Chem. Phys., 2016, 18, 6013
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Zigzag double-chain C–Be nanoribbon featuring planar pentacoordinate carbons and ribbon aromaticity

Jia-Jia Li, Yuewen Mu, Xinxin Tian, Caixia Yuan, Yan-Bo Wu, Qiang Wang, Debao Li, Zhi-Xiang Wang and Si-Dian Li

J. Mater. Chem. C, 2017, 5, 408
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A topological path to the formation of a quasi-planar B70 boron cluster and its dianion

Pinaki Saha, Fernando Buendía, Long Van Duong and Minh Tho Nguyen

Phys. Chem. Chem. Phys., 2024, 26, 15369
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Endohedral and Exohedral Metalloborospherenes: M@B40 (M=Ca, Sr) and M&B40 (M=Be, Mg)

Hui Bai, Qiang Chen, Hua‐Jin Zhai and Si‐Dian Li

Angew Chem Int Ed, 2015, 54, 941
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Impact of position and number of nitrogen atom substitution on the curvature and hydrogen adsorption properties of metallized borophene

Azin Shahsavar and Afshan Mohajeri

J Mater Sci, 2018, 53, 4540
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A flat carborane with multiple aromaticity beyond Wade–Mingos’ rules

Wei Lu, Dinh Cao Huan Do and Rei Kinjo

Nat Commun, 2020, 11
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Photoelectron spectroscopy of B4O4−: Dual 3c-4e π hyperbonds and rhombic 4c-4e o-bond in boron oxide clusters

Wen-Juan Tian, Li-Juan Zhao, Qiang Chen, Ting Ou, Hong-Guang Xu, Wei-Jun Zheng, Hua-Jin Zhai and Si-Dian Li

The Journal of Chemical Physics, 2015, 142
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Boronyl Chemistry: The BO Group as a New Ligand in Gas-Phase Clusters and Synthetic Compounds

Hua-Jin Zhai, Qiang Chen, Hui Bai, Si-Dian Li and Lai-Sheng Wang

Acc. Chem. Res., 2014, 47, 2435
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Self-Termination of Borophene Edges

Lu Qiu, Yuewen Mu, Sung Youb Kim and Feng Ding

JACS Au, 2024, 4, 116
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Electronic Properties of Linear and Cyclic Boron Nanoribbons from Thermally-Assisted-Occupation Density Functional Theory

Sonai Seenithurai and Jeng-Da Chai

Sci Rep, 2019, 9
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Energy/Electron Transfer Switch for Controlling Optical Properties of Silicon Quantum Dots

Mohammed Abdelhameed, Shawkat Aly, Jeremy T. Lant, Xiaoran Zhang and Paul Charpentier

Sci Rep, 2018, 8
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The silicon doped B10Si2 and isovalent boron clusters: Quasi-degenerate 2D and 3D isomers and electron model for rectangular cuboid

Long Van Duong, Duy Quang T. Nguyen, My Phuong Pham-Ho and Minh Tho Nguyen

Chemical Physics Letters, 2024, 852, 141517
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Endohedral and Exohedral Metalloborospherenes: M@B40 (M=Ca, Sr) and M&B40 (M=Be, Mg)

Hui Bai, Qiang Chen, Hua‐Jin Zhai and Si‐Dian Li

Angewandte Chemie, 2015, 127, 955
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The B35 Cluster with a Double-Hexagonal Vacancy: A New and More Flexible Structural Motif for Borophene

Wei-Li Li, Qiang Chen, Wen-Juan Tian, Hui Bai, Ya-Fan Zhao, Han-Shi Hu, Jun Li, Hua-Jin Zhai, Si-Dian Li and Lai-Sheng Wang

J. Am. Chem. Soc., 2014, 136, 12257
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Three-chain B6n+14 cages as possible precursors for the syntheses of boron fullerenes

Haigang Lu and Si-Dian Li

The Journal of Chemical Physics, 2013, 139
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Nature of Bonding in Bowl‐Like B36 Cluster Revisited: Concentric (6π+18π) Double Aromaticity and Reason for the Preference of a Hexagonal Hole in a Central Location

Rui Li, Xue‐Rui You, Kang Wang and Hua‐Jin Zhai

Chemistry An Asian Journal, 2018, 13, 1148
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Planar dicyclic B6S6, B6S6−, and B6S62− clusters: Boron sulfide analogues of naphthalene

Da-Zhi Li, Hui Bai, Ting Ou, Qiang Chen, Hua-Jin Zhai and Si-Dian Li

The Journal of Chemical Physics, 2015, 142
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Ribbon Aromaticity of Double-Chain B2n C2H2 Clusters (n = 2–9): A First Principle Study

Su-Yan Zhang, Hui Bai, Qiang Chen, Yue-Wen Mu, Ting Gao, Haigang Lu and Si-Dian Li

J Clust Sci, 2015, 26, 2043
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Exploring the adsorption and sensing behavior of the M-Nx-B36-x (M=Fe, Ni, and Cu; x=0, 3) bowl-shaped structures upon CO, NO, O2, and N2 molecules: A first-principles study

Nasim Hassani and Maryam Mehdizade

Physica E: Low-dimensional Systems and Nanostructures, 2020, 124, 114242
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Mechanochemistry of One-Dimensional Boron: Structural and Electronic Transitions

Mingjie Liu, Vasilii I. Artyukhov and Boris I. Yakobson

J. Am. Chem. Soc., 2017, 139, 2111
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Boron Silicon B2Si3qand B3Si2pClusters: The Smallest Aromatic Ribbons

Long Van Duong, Nguyen Ngoc Tri, Nguyen Phi Hung and Minh Tho Nguyen

J. Phys. Chem. A, 2022, 126, 3101
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Structural phase diagram and bonding patterns of B H (x + y = 20) binary systems: A theoretical investigation

Chang Xu and Longjiu Cheng

Computational and Theoretical Chemistry, 2021, 1199, 113194
DOI: 10.1016/j.comptc.2021.113194