Morphology of lithium halides in tetrahydrofuran from molecular dynamics with machine learning potentials - de Giovanetti, Marinella; Hopen Eliasson, Sondre Hilmar; Bore, Sigbjørn Løland; Eisenstein, Odile; Cascella, Michele (Chemical science (Cambridge), 2024)
Keywords: Chemical Sciences; Chemistry; Cubane; Energy value; Free energy; Grignard reactions; Halides; Halogens; Lewis base; Lithium; Lithium chloride; Lithium ions; Machine learning; Molecular dynamics; Polymorphism; Scaffolds; Solvents; Tetrahydrofuran