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• Polar Magnets in Double Corundum Oxides
• BaCu 2 M IV Q 4 (M IV = Si, Ge, and Sn; Q = S, Se): synthesis, crystal structures, optical performances and theoretical calculations
• Optical, mechanical and thermal behaviors of Nitrilotriacetic acid single crystal
• Synthesis, X-ray crystal structure and DFT studies of two octahedral cobalt(II) complexes withN,N,N-tridentate triazine-type ligand
• Density functional theory calculations for the band gap and formation energy of Pr 4−x Ca x Si 12 O 3+x N 18−x ; a highly disordered compound with low symmetry and a large cell size
• Large‐scale extraction of drug–disease pairs from the medical literature
• A computational study of the optoelectronic and thermoelectric properties of HfIrX (X = As, Sb and Bi) in the cubic LiAlSi-type structure
• Ceria Catalysts at Nanoscale: How Do Crystal Shapes Shape Catalysis?
• BaMF4 (M = Mn, Co, Ni): New electrode materials for hybrid supercapacitor with layered polar structure
• Understanding the dynamics of terrorism events with multiple-discipline datasets and machine learning approach
• Mapping degrees of complexity, complicatedness, and emergent complexity
• Accelerated discovery of two crystal structure types in a complex inorganic phase field
• First theoretical framework of di-substituted donor moieties of triphenylamine and carbazole for NLO properties: quantum paradigms of interactive molecular computation
• Computational predictions of energy materials using density functional theory
• Fabrication of BiOIO3 with induced oxygen vacancies for efficient separation of the electron-hole pairs
• Li 2 CdGeSe 4 and Li 2 CdSnSe 4 : biaxial nonlinear optical materials with strong infrared second-order responses and laser-induced damage thresholds influenced by photoluminescence
• Self-assembly of birnessite nanoflowers by staged three-dimensional oriented attachment
• Novel borate CsZn2B3O7 single crystal with large efficient second harmonic generation in deep-ultraviolet spectral range
• Synthesis, crystal structure, optical property and theoretical studies of a noncentrosymmetric telluromolybdate CoTeMoO6
• Structural, elastic, electronic and optical properties of the novel quaternary diamond-like semiconductors Cu2MgSiS4 and Cu2MgGeS4
• Concentration dependent luminescence spectral investigation of Sm3+ doped Y2SiO5 nanophosphor
• Ordered aeschynite-type polar magnets RFeWO6 ( R=Dy , Eu, Tb, and Y): A new family of type-II multiferroics
• A new method for the preparation of a [Sn 2 (H 2 PO 2 ) 3 ]Br SHG-active polar crystal via surfactant-induced strategy
• La1-Ca Mn1-Al O3 perovskites as efficient catalysts for two-step thermochemical water splitting in conjunction with exceptional hydrogen yields
• Human versus Robots in the Discovery and Crystallization of Gigantic Polyoxometalates
• Machine-Learning-Assisted Approach for Discovering Novel Inhibitors Targeting Bromodomain-Containing Protein 4
• Crystal Chemistry of Uranium Oxides and Minerals
• Synthesis and structural characterization of five zinc bisphosphonate compounds
• A Theoretical Insight into Enhanced Catalytic Activity of Au by Multiple Twin Nanoparticles
• Potential Hybrid Improper Ferroelectricity in the Oxyfluoride KNaNbOF$_5$