Angewandte Chemie International Edition · 2010 · 117 citations · 31 references
Natural SciencesChemistryCrystal StructureInorganic ChemistryPhysical ChemistryCoordination ChemistryInorganic MaterialsSolid-state SynthesisAmbient Pressure EffectsHigh-pressure Synthesis
Back from the extreme: The formation of edge-sharing BO4 tetrahedra is excluded from borate structure chemistry and only rarely presents itself under extremely high pressure. Now this structure has been observed in an ambient pressure borate. Unlike high-pressure metastable phases, the title compound is stable up to its melting point. The tunnel structure of the compound is also accessible to mobile ions.
31
First-principles simulation: ideas, illustrations and the CASTEP code
Matthew Segall, Philip J. D. Lindan, Matt Probert et al. · Journal of Physics Condensed Matter · 2002 · 11.8K citations · Full text
From molecules to solids with the DMol3 approach
B. Delley · The Journal of Chemical Physics · 2000 · 10.9K citations · Full text
Natural Sciences, Chemistry, Physics +12
A new route to charge distributions in ionic solids
Rudolf Hoppe, Stephan Voigt, H. Glaum et al. · Journal of the Less Common Metals · 1989 · 376 citations
Natural Sciences, Chemistry, Physics +14