X.J. Shen, Yuanjie Li, Xianglin Liu, Dandan Zhang, Jian Gao and Tianshui Liang, Hydrogen diffusion into the subsurfaces of model metal catalysts from first principles, Phys. Chem. Chem. Phys., 19(5), 3557-3564 (2017)(JCR1区)
X.J. Shen, Zhaojun Zhang, Dong H. Zhang, Eight-dimensional quantum dynamics study of CH4 and CD4 dissociation on Ni(100) surface, J. Phys. Chem. C., 120(36), 20199-20205 (2016) (JCR1区)
X.J. Shen, J. Chen, Y.M. Sun, L.T. Liang, Hydrogen diffusion on Fe surface and into subsurface from first principles, Surf. Sci. 654,48-55(2016) (JCR3区)
X.J. Shen, Zhaojun Zhang, Dong H. Zhang, Communication: Methane dissociation on Ni(111) surface: Importance of azimuth and surface impact site, J. Chem. Phys. 144(10), 101101 (2016) (JCR1区)
X.J. Shen, J. Chen, Zhaojun Zhang, K. J. Shao, Dong H. Zhang, Methane dissociation on Ni(111): A fifteen-dimensional potential energy surface using neural network method, J. Chem. Phys. 143(14), 144701 (2015)(JCR1区)
Xiangjian Shen, Zhaojun Zhang, and Dong H. Zhang, CH4 dissociation on Ni(111): A quantum dynamics study of lattice thermal motion, Phys. Chem. Chem. Phys., 17(38), 25499-25504 (2015)(JCR1区)
A.Lozano, X.J. Shen, R. Moiraghi, W. Dong, H.F. Busnengo, Cutting a chemical bond with demon’s scissors: Mode- and bond-selective reactivity of methane on metal surfaces, Surf. Sci. 640,25(2015) (JCR3区)
X. J. Shen, D. Tanguy and D. Connetable, Modeling segregation of hydrogen to the ∑9 <110>{221} symmetric tilt grain boundary in Al, Phil. Mag. 94, 2247(2014) (JCR2区)
X.J. Shen, A. Lozano, W. Dong, H.F. Busnengo and X. H. Yan, Towards bond selective chemistry from first principles: Methane on metal surfaces, Phys. Rev. Lett. 112, 046101(2014) (JCR1区)
X.J. Shen, Y. Xiao, W. Dong, X. H. Yan and H. F. Busnengo. Molecular dynamics simulations based on reactive force-fields for surface chemical reactions. Comput. Theor. Chem., 990, 152 (2012) (JCR4区)
X.J. Shen, W. Dong, Y. Xiao and X. H. Yan. Comment on ‘Reactive force fields for surface chemical reaction: A case study of hydrogen dissociation on Pd surfaces’. J. Chem. Phys., 135, 167101 (2011) (JCR1区)
Yurong Yang, X. H. Yan, Xiangjian Shen, Xiaoyu Zhang and Yang Xiao. Curvature effects on the magnetism of ultrashort zigzag carbon nanotubes and nanographenes. J. Phys. Chem. C., 114(17), 7553-7557 (2010) (JCR1区)