Aromaticity of Substituted Benzene Derivatives Employing a New Set of Aromaticity Descriptors Based on the Partition of Electron Density
Sign Up to like & getrecommendations! Published in 2025 at "Journal of Computational Chemistry"
DOI: 10.1002/jcc.70257
Abstract: Aromatic compounds represent about two‐thirds of known molecules. Despite that, aromaticity still lacks a precise definition, leading to the use of various descriptors to quantify it. In this work, we employ a new set of… read more here.
Keywords: mathrm; left mathrm; mathrm mathrm; aromaticity ... See more keywords
Determination of Gibbs energy of formation of LiThF5, LiTh2F9, and LiTh4F17 in Li-Th-F system by using solid electrolyte galvanic cell
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Solid State Electrochemistry"
DOI: 10.1007/s10008-019-04404-4
Abstract: The LiF-ThF4 system has been considered as reference fuel solvent for molten salt reactor. The high-temperature interaction of LiF-ThF4 leads to formation of a number of complex fluoride compounds. The study is focused on determination… read more here.
Keywords: usepackage; left mathrm; mathrm left; mathrm right ... See more keywords
Phase transformation of ferric-iron-rich silicate in Earth’s mid-mantle
Sign Up to like & getrecommendations! Published in 2024 at "American Mineralogist"
DOI: 10.2138/am-2024-9410
Abstract: Abstract The incorporation of ferric iron in mantle silicates stabilizes different crystal structures and changes phase transition conditions, thus impacting seismic wave speeds and discontinuities. Recent experiments of MgSiO3-Fe2O3 mixtures indicate the coexistence of fully… read more here.
Keywords: iron; structure; mathrm; left mathrm ... See more keywords