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1)G.J. Tian, J.C. Liu, and Y. Luo*, Density-matrix approach for the electroluminescence of molecules in a scanning tunneling microscope, Phys. Rev. Lett., 106 (2011) 177401
2)C.K. Xu, W. Liu, P. Zhang, M. Li, H. Zhang, K. Xu, Y. Luo* and X.J. Chen*, Nonlinear inelastic electron scattering revealed by plasmon-enhanced electron energy loss spectroscopy, Nature Physics, 10 (2014) 753
3)S. Duan, G.J. Tian, Y.F. Ji, J.S. Shao, Z.C. Dong, and Y. Luo*, Theoretical modeling of plasmon enhanced Raman image of a single molecule with sub-nanometer resolution, J. Am. Chem. Soc. 137 (2015) 9515
4)S. Duan, G.J. Tian and Y. Luo*, Visualization of vibrational modes in real space by tip-enhanced non-resonant Raman spectroscopy, Angew. Chem. Int. Ed., 128 (2016) 1053 –1057.
5)S. Duan, Z. Rinkevicius, G.J. Tian, and Y. Luo*, Optomagnetic effect induced by magnetized nanocavity plasmon, J. Am. Chem. Soc., 141 (2019) 13795-13798.
6)Y. Zhang, B. Yang, A. Ghafoor, Y. Zhang, Y.F. Zhang, R.P. Wang, J.L. Yang, Y. Luo*, Z.C. Dong*, J.G. Hou*, Visually Constructing the Chemical Structure of a Single Molecule by Scanning Raman Picoscopy, Nat. Sci. Rev., 6 (2019) 1169−1175
7)C.Y. Li, S. Duan, B. Wen, S. Li, K. Murugavel, L. Xie, S. Chen, J. Anema, B.W. Mao, Y. Luo*, Z.Q. Tian, J.F. Li*, Observation of inhomogeneous plasmon field distribution in a nanocavity, Nature Nanotech. 15 (2020) 922
8)S. Fang, S. Duan, X. Wang, S. Chen, L. Li, H. Li, B. Jiang, C. Liu, N. Wang, L. Zhang, X. Wen, Y. Yao, J. Zhang, D. Xie*, Y. Luo* and W.G. Xu*, Direct characterization of shear phonons in layered materials by mechano-Raman spectroscopy, Nature Photonics, 17 (2023) 531–537
9)Q. Zhu, F. Zhang, Y. Huang, H. Xiao, L. Zhao, X. Zhang, T. Song, X. Tang, X. Li, G. He, B. Chong, J. Zhou, Y. Zhang, B.C. Zhang, J. Cao, M. Luo, S. Wang, G. Ye, W. Zhang, X. Chen, S. Cong, D. Zhou, H. Li, J. Li, G. Zou, W.W. Shang*, J. Jiang*, and Y. Luo*, An all-round AI-Chemist with a scientific mind, Natl. Sci. Rev., 9 (2022) nwac190
10)Q. Zhu, Y. Huang, D. Zhou, L. Zhao, L. Guo, R. Yang, Z. Sun, M. Luo, F. Zhang, H. Xiao, X. Tang, X. Zhang, T. Song, X. Li, B. Chong, J. Zhou, Y. Zhang, B. Zhang, J. Cao, G. Zhang, S. Wang, G. Ye, W. Zhang, H. Zhao, S. Cong, H. Li, L.-L. Ling, Z. Zhang, W.W. Shang*, J. Jiang*, and Y. Luo*, Automated synthesis of oxygen-producing catalysts from Martian meteorites by a robotic AI chemist, Nat. Synth (2023) https://doi.org/10.1038/s44160-023-00424-1
11)X.J. Wang, S. Jiang, W. Hu, S. Ye, T. Wang, F. Wu, L. Yang, X. Li, G. Zhang, X. Chen,* J. Jiang,* and Y. Luo*, Quantitatively determining surface−adsorbate properties from vibrational spectroscopy with interpretable machine learning, J. Am. Chem. Soc., 144 (2022) 16069−16076
12)Z. Zou, Y. Zhang, L.J. Liang, M. Wei, J. Leng, J. Jiang*, Y. Luo*, and W. Hu*, A deep learning model for predicting selected organic molecular spectra, Nat. Comput. Sci. (2023) https://doi.org/10.1038/s43588-023-00550-y
13)B.C. Zhang, X.L. Zhang, W.J. Du, Z.K. Song, G.Z. Zhang, G.Q. Zhang, Y. Wang, X. Chen*, J. Jiang*, and Y. Luo*, Chemistry-informed molecular graph as reaction descriptor for machine-learned retrosynthesis planning, Proc. Natl. Acad. Sci. U. S. A., 119 (2022) e2212711119
14)J. Zhang, J.J. Tan, R. Pei, S.J. Ye*, and Y. Luo*, Ordered Water Layer on the Macroscopically Hydrophobic Fluorinated Polymer Surface and Its Ultrafast Vibrational Dynamics, J. Am. Chem. Soc. 143 (2021), 13074-13081
15)J. Zhang, R. Pei, J.J. Tan, Z. Ni, S.J. Ye*, and Y. Luo*, Visualizing Water Monomers and chiral OH-(H2O) complexes infiltrated in a macroscopic hydrophobic Teflon matrix, J. Am. Chem. Soc., (2023), https://doi.org/10.1021/jacs.3c09950