"What is This?" A Structure Analysis Tool for Rapid and Automated Solution of Small Molecule Structures
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Chemical Crystallography"
DOI: 10.1007/s10870-020-00867-w
Abstract: The structure of organic compounds, including their absolute configuration, is extremely critical to the activity of medicines, aroma chemicals, and agrochemicals. Nearly all of these structures have been determined by single-crystal X-ray diffraction (SC-XRD) analysis.… read more here.
Keywords: molecule; wit; analysis; xrd analysis ... See more keywords
A data-driven XRD analysis protocol for phase identification and phase-fraction prediction of multiphase inorganic compounds
Sign Up to like & getrecommendations! Published in 2021 at "Inorganic chemistry frontiers"
DOI: 10.1039/d0qi01513j
Abstract: Deep learning (DL) models trained with synthetic XRD data have never accomplished a satisfactory quantitative XRD analysis for the exact prediction of a constituent-phase fraction in unknown multiphase inorganic compounds, although DL-based phase identification has… read more here.
Keywords: xrd analysis; phase identification; phase fraction; phase ... See more keywords
Reaction Rate Enhancement for Cu(In,Ga)Se2 Absorber Materials Using Ag-Alloying
Sign Up to like & getrecommendations! Published in 2019 at "IEEE Journal of Photovoltaics"
DOI: 10.1109/jphotov.2019.2897582
Abstract: The addition of Ag to Cu-Ga-In precursors for synthesizing (Ag,Cu)(In,Ga)Se2 (ACIGS) thin films has shown benefits including improved adhesion, greater process tolerance, and potential for improved device performance. In this study, reaction pathways to form… read more here.
Keywords: rate enhancement; enhancement se2; reaction; reaction rate ... See more keywords
Relating Ettringite Formation and Rheological Changes during the Initial Cement Hydration: A Comparative Study Applying XRD Analysis, Rheological Measurements and Modeling
Sign Up to like & getrecommendations! Published in 2019 at "Materials"
DOI: 10.3390/ma12182957
Abstract: In order to gain a deeper understanding of the rheological development of hydrating ordinary Portland cement (OPC) pastes at initial state, and to better understand their underlying processes, quantitative X-ray diffraction (XRD) analysis and rheological… read more here.
Keywords: analysis rheological; xrd analysis; cement; rheological measurements ... See more keywords