Xiaosong Li

Highly efficient all-inorganic perovskite solar cells with suppressed non-radiative recombination by a Lewis base

Jing Wang, Jie Zhang, Yingzhi Zhou et al. · Nature Communications · 2020 · 657 citations · Full text

Natural Sciences, Materials Engineering, Materials Science +17

On the Physical Origin of Blue-Shifted Hydrogen Bonds

Xiaosong Li, Lei Liu, H. Bernhard Schlegel · Journal of the American Chemical Society · 2002 · 533 citations

Natural Sciences, Chemistry, Physics +16

<i>Ab initio</i> molecular dynamics: Propagating the density matrix with Gaussian orbitals. III. Comparison with Born–Oppenheimer dynamics

H. Bernhard Schlegel, Srinivasan S. Iyengar, Xiaosong Li et al. · The Journal of Chemical Physics · 2002 · 512 citations

Natural Sciences, Chemistry, Physics +17

Energy-Represented Direct Inversion in the Iterative Subspace within a Hybrid Geometry Optimization Method

Xiaosong Li, Michael J. Frisch · Journal of Chemical Theory and Computation · 2006 · 471 citations

Natural Sciences, Mathematics, Computational Chemistry +10

<i>Ab initio</i>Ehrenfest dynamics

Xiaosong Li, John C. Tully, H. Bernhard Schlegel et al. · The Journal of Chemical Physics · 2005 · 381 citations

Natural Sciences, Chemistry, Physics +17