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• DFT analysis on spectral and NLO properties of (2E)-3-[4-(dimethylamino) phenyl]-1-(naphthalen-2-yl) prop-2-en-1-one; a d-π-A chalcone derivative and its docking studies as a potent hepatoprotective agent
• NIST Center for Neutron Research :
• Centric-to-acentric structure transformation induced by a stereochemically active lone pair: a new insight for design of IR nonlinear optical materials
• Structure of the catalytically active copper–ceria interfacial perimeter
• New cadmium-selenium-oxyhalides: Noncentrosymmetric Cd5(SeO3)4Cl2(H2O) and centrosymmetric Cd2(SeO3)F2, Cd2(SeO3)(OH)Br
• Effect of Fluoride Doping on Lithium Diffusivity in Layered Molybdenum Oxide
• Influence of nanopore density on ethylene/acetylene separation by monolayer graphene
• A Detailed Study on the Structural, Electrical and Optical Properties of (ZnO-GeO2) Substituted In2O3 Transparent Conducting Oxide
• Organic Compounds of Actinyls: Systematic Computational Assessment of Structural and Topological Properties in [AnO2(C2O4)n](2n−2)–(An = U, Np, Pu, Am;n= 1–3) Complexes
• Synthesis, molecular structure and DFT studies of two heteroleptic nickel(II) s-triazine pincer type complexes
• TB-mBJ calculation of structural, electronic and optical properties of two monovalent iodates AIO3 (A=Tl, α-Rb)
• Promoted chemoselective crotonaldehyde hydrogenation on zirconia-doped SiO2 supported Ag catalysts: Interfacial catalysis over ternary Ag–ZrO2–SiO2 interfaces
• Accessing Metastability in Heterostructural Semiconductor Alloys
• Partial oxidation of methane on neodymium and lanthanium chromate based perovskites for hydrogen production
• First principles study for band engineering of KNbO 3 with 3d transition metal substitution
• Effective interaction for vanadium oxyhydrides Srn+1VnO2n+1Hn ( n=1 and n→∞ ): A constrained-RPA study
• Designing Three Fluorooxoborates with a Wide Transmittance Window by Anionic Group Substitution
• Rocketsled: a software library for optimizing high-throughput computational searches
• Advances in the LiCl salt flux method and the preparation of phase pure La 2−x Nd x LiHO 3 (0 ≤ x ≤ 2) oxyhydrides
• High-throughput experiments facilitate materials innovation: A review
• Blue-emitting Bi-doped double perovskite Gd2ZnTiO6 phosphor with near-ultraviolet excitation for warm white light-emitting diodes
• Magnetic properties of La3Ni2Sb Ta Nb1––O9; from relaxor to spin glass
• Bulk crystal growth and characterization of the bismuth ferrite-based material Bi 3 FeO 4 (MoO 4 ) 2
• Ba10In6Zn7S26-nZnS: An Inorganic Composite System with Interface Phase-Matching Tuned for High-Performance Infrared Nonlinear Optical Materials
• Single-component Ba3(ZnB5O10)PO4: Eu2+, Mn2+ phosphors with color-tunable luminescence properties for near-ultraviolet-pumped white light-emitting diodes
• Module-Analysis-Assisted Design of Deep Ultraviolet Fluorooxoborates with Extremely Large Gap and High Structural Stability
• NaCa5BO3(SiO4)2 with Interesting Isolated [BO3] and [SiO4] Units in Alkali- and Alkaline-Earth-Metal Borosilicates
• Investigating Cationic Distribution, Defect Structure and Phosphor Characteristics of Na 2 Sm 2 Ca 6 (PO 4 ) 6 F 2
• Aging effect and metastable ferroelectric state in Ba4Eu2(Ti0.9Zr0.1)4Ta6O30 tetragonal tungsten bronze ceramic
• Sn 2 B 7 O 12 F with a 2∞[B 14 O 24 ] 6− layer constructed from the unprecedented [B 7 O 16 ] 11− fundamental building block