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• Effect of Fluoropolymer Composition on Topochemical Synthesis of SrMnO$_{3-{\delta}}$F$_{{\gamma}}$ Oxyfluoride Films
• Looking for new thermoelectric materials among TMX intermetallics using high-throughput calculations
• Multiscale prediction of functional self-assembled materials using machine learning: high-performance surfactant molecules
• Effects of Temperature on the Shape and Symmetry of Molecules and Solids
• Macroscopically Anisotropic Structures Produced by Light-induced Solvothermal Assembly of Porphyrin Dimers
• Mo6+ Cation Enrichment of the Structure Chemistry of Iodates: Syntheses, Structures, and Calculations of Ba(MoO2)2(IO3)4O, Ba3[(MoO2)2(IO3)4O(OH)4]·2H2O, and Sr[(MoO2)6(IO4)2O4]·H2O
• Two noncentrosymmetric polyphosphates featuring infinite one-dimensional (PO3)∞ chain, LiMP2O6 (M = Rb, Cs): Synthesis, structure and optical properties
• Making an order: the concerted alignment of [MOF5]2− (M = Nb and Ta) dipolar anions in one-dimensional coordination chains sustained by tris(3,4,5-trimethyl-1H-pyrazole)copper(II)
• Expanding Frontiers of Ultraviolet Nonlinear Optical Materials with Fluorophosphates
• A novel anode for solid oxide fuel cells prepared from phase conversion of La0.3Sr0.7Fe0.7Cr0.3O3-δ perovskite under humid hydrogen
• Shape-controlled synthesis of Pd nanocrystals with exposed {110} facets and their catalytic applications
• High-throughput discovery of organic cages and catenanes using computational screening fused with robotic synthesis
• Machine Learning Directed Search for Ultraincompressible, Superhard Materials
• Inverse molecular design using machine learning: Generative models for matter engineering
• Retention of a Paramagnetic Ground State at Low Temperatures in a Family of Structurally Related UIV Phosphates
• Complex Sellmeier equation for the refractive index of semiconductors in the opaque region
• Exploring the impact of hydrostatic pressure on the structural, electronic and mechanical properties of ZrNiPb half-Heusler alloy: A DFT approach
• Structural, optical and piezoelectric investigation on new Brucinium Chlorate di-hydrate NLO single crystal for optoelectronic, piezo-sensor, transducer and OLED applications
• Crystal-site engineering for developing tunable green light emitting Ba9Lu2Si6O24:Eu2+ phosphors for efficient white LEDs
• A noncentrosymmetric coordination polymer based on the benzophenone-3,3′-disulfonyl-4,4′-dicarboxylate ligand exhibiting second-harmonic-generation responses
• Module-Guided Design Scheme for Deep-Ultraviolet Nonlinear Optical Materials
• Electronic band-structure and optical constants of Pb2GeS4: Ab initio calculations and X-ray spectroscopy experiments
• The must-have and nice-to-have experimental and computational requirements for functional frequency doubling deep-UV crystals
• Tunable Optical Properties and Enhanced Thermal Quenching of Non-Rare-Earth Double-Perovskite (Ba1–xSrx)2YSbO6:Mn4+ Red Phosphors Based on Composition Modulation
• Polymorphic Smooth Interfaces Formation Based on the Biphasic BaTeMo2O9 Using Top Multi-Seeded Growth
• Learning from scratch
• Anomalous Hall effect derived from multiple Weyl nodes in high-mobility EuTiO 3 films
• Is zeroth order crystal structure prediction (CSP_0) coming to maturity? What should we aim for in an ideal crystal structure prediction code?
• How To Optimize Materials and Devices via Design of Experiments and Machine Learning: Demonstration Using Organic Photovoltaics
• A new approach for the prediction of partition functions using machine learning techniques