Uncovering a Functional Motif of Nonlinear Optical Materials by In Situ Electron Density and Wavefunction Studies Under Laser Irradiation

[ABa2Cl][Ga4S8] (A = Rb, Cs): Wide-Spectrum Nonlinear Optical Materials Obtained by Polycation-Substitution-Induced NLO-Functional Motif Ordering

(2020) Bin-Wen Liu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The Large Second-Harmonic Generation of LiCs2 PO4 is caused by the Metal-Cation-Centered Groups

(2018) Xiyue Cheng et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Strong SHG Response via High Orientation of Tetrahedral Functional Motifs in Polyselenide A2 Ge4 Se10 (A = Rb, Cs)

(2018) Bin-Wen Liu et al.   Advanced Optical Materials

Toward the Rational Design of Novel Noncentrosymmetric Materials: Factors Influencing the Framework Structures

(2016) Kang Min Ok   ACCOUNTS OF CHEMICAL RESEARCH

Inorganic–organic hybrid white light phosphors

(2016) Ming-Sheng Wang et al.   CHEMICAL COMMUNICATIONS

Hirshfeld atom refinement

(2014) Silvia C. Capelli et al.   IUCrJ

Modeling electron density distributions from X-ray diffraction to derive optical properties: Constrained wavefunction versus multipole refinement

(2013) Daniel D. Hickstein et al.   JOURNAL OF CHEMICAL PHYSICS

Electronic structures and optical properties of Ca5(BO3)3F: a systematical first-principles study

(2011) Chun-Li Hu et al.   JOURNAL OF PHYSICS-CONDENSED MATTER