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Y. Zhao, J. Wang, H. C. Huang, J. Li, X. X. Dong, J. Chen. Y. Bu, and S. B. Cheng*, Tuning the Electronic Properties and Performance of Low-Temperature CO Oxidation of the Gold Cluster by Oriented External Electronic Field. J. Phys. Chem. Lett. 2020, 11, 1093-1099.
J. Li, H. C. Huang, J. Wang, Y. Zhao, J. Chen, Y. Bu, and S. B. Cheng*, Polymeric tungsten carbide nanoclusters: structural evolution, ligand modulation, and assembled nanomaterials, Nanoscale, 2019, 11, 19903-19911.
J. Wang, Y. Zhao, J. Li, H. C. Huang, J. Chen, and S. B. Cheng*, Unveiling the electronic structures and ligation effect of the superatom-polymeric zirconium oxide clusters: a computational study. Phys. Chem. Chem. Phys. 2019, 21, 14865-14872.
J. D. Huang, K. Yu, X. Huang, D. Chen, J. Wen, S. Cheng, and H. Ma, Theoretical study of charge-transport and optical properties of organic crystals: 4,5,9,10-pyrenediimides, IUCrJ 2019, 6, 603-609.
D. P. Yang, Q. L. Zhang, X. Y. Song, and S. B. Cheng, Modulating mechanism of N-H-based excited-state intramolecular proton transfer by electron-withdrawing substituent at aromatic para-position, Chem. Phys. Lett. 2019, 730, 76-83.
Q. Zhao, X. Yang, D. Yang, and S. Cheng, Photoinduced excited state dynamical behavior and ESIPT mechanism for 2-(2-hydroxy-3,5-dimethyl-phenyl)-benzooxazole-5-carboxylicacid molecule, Chem. Phys. Lett. 2019, 730, 485-490.
D. Yang, T. Zhang, M. Jia, and S. Cheng, Modulating NeH-based excited-state intramolecular proton transfer by different electron-donating/withdrawing substituents in 2-(2’-aminophenyl) benzothiazole compounds, Chem. Phys. Lett. 2019, 724, 57-66.
Q. Zhang, T. Zhang, S. Cheng, G. Yang, M. Jia, and X. Song, A detailed theoretical simulation about the excited state dynamical process for the novel (benzo[d]thiazol-2-yl)-5-(9H-carbazol-9-yl)phenol molecule, J. Phys. Org. Chem. 2019, 32, e3942.
J. Chen, H. Yang, J. Wang, and S. B. Cheng*, Probing the Geometric and Electronic Structures of the Monogadolinium Oxide GdOn-1/0 (n=1-4) Clusters, J. Phys. Chem. A 2018, 122, 8776-8782.
J. Chen, H. Yang, J. Wang, and S. B. Cheng*, Theoretical investigations on the d-p hybridized aromaticity, photoelectron spectroscopy and neutral salts of the LaX2- (X = Al, Ga, In) clusters, Spectrochim. Acta A, 2018, 203, 132-138.
J. D. Huang, J. Zhao, K. Yu, X. Huang, S. B. Cheng, and H. Ma, Theoretical study of charge-transport and optical properties of indeno[1,2-b] fluorene-6,12-dione-based semiconducting materials, Acta Crystallogr. B 2018, 74, 705-711.
H. Zhang, Q. Luo, S. Cheng, Q. Fu and Y. Bu, Unique Solvating Effect in Azabenzene Clathrate Hydrates, J. Phys. Chem. C 2018, 122, 28466-28477.
C. Zhang, Q. Luo, S. Cheng, and Y. Bu, Unusual Indirect Nuclear Spin-Spin Exchange Coupling through Solvated Electron, J. Phys. Chem. Lett. 2018, 9, 689-695.
S. B. Cheng*, C. L. Harmon, H. Yang, and A. W. Castleman, Jr.*, Electronic structure of the diatomic VO anion: A combined photoelectron-imaging spectroscopic and theoretical investigation. Phys. Rev. A 2016, 94, 062506.
Cuneyt Berkdemir, K. Don Dasitha Gunaratne, Shi-Bo Cheng, and A. W. Castleman, Jr.*, Photoelectron imaging spectroscopy of niobium mononitride anion NbN−, J. Chem. Phys. 2016,145, 034301.
Shi-Bo Cheng, Cuneyt Berkdemir, and A. W. Castleman, Jr.*, Mimicking the Magnetic Properties of Rare Earth Elements using Superatoms. Proc. Natl. Acad. Sci. U. S. A. 2015, 112, 4941-4945. (2015 PNAS Cozzarelli Prize)
Shi-Bo Cheng, and A. W. Castleman, Jr*., Direct Experimental Observation of Weakly-bound Character of the Attached Electron in Europium Anion. Sci. Rep. 2015, 5,12414 (DOI: 10.1038/srep12414).
Shi-Bo Cheng, Cuneyt Berkdemir, Joshua J. Melko, and A. W. Castleman, Jr.*, S-P Coupling Induced Unusual Open-Shell Metal Clusters. J. Am. Chem. Soc. 2014, 136, 4821-4824.
Shi-Bo Cheng, Cuneyt Berkdemir, and A. W. Castleman, Jr.*, Observation of d–p Hybridized Aromaticity in Lanthanum-doped Boron Clusters. Phys. Chem. Chem. Phys. 2014, 16, 533-539.
Shi-Bo Cheng, and A. W. Castleman, Jr.*, Joint Photoelectron Imaging Spectroscopic and Theoretical Characterization on the ElectronicStructures of the Anionic and Neutral ZrC2 Clusters. J. Phys. Chem. A 2014, 118, 6935–6939.