SELFIES and the future of molecular string representations
Artificial intelligence (AI) and machine learning (ML) are expanding in popularity for broad
applications to challenging tasks in chemistry and materials science. Examples include the …
applications to challenging tasks in chemistry and materials science. Examples include the …
Anion-centered tetrahedra in inorganic compounds
It is a common procedure in the description and evaluation of structures of inorganic
compounds to consider them in terms of coordination of cations, ie, as extended arrays of …
compounds to consider them in terms of coordination of cations, ie, as extended arrays of …
Mineralogy and crystallography of uranium
SV Krivovichev, J Plášil - 2013 - pubs.geoscienceworld.org
Uranium minerals have been known since the discovery of U by Martin Heinrich Klaproth
1789, in when he obtained yellow powder of UO 3 from Saxonian pitchblende. However …
1789, in when he obtained yellow powder of UO 3 from Saxonian pitchblende. However …
Producing highly complicated materials. Nature does it better
Through the years, mineralogical studies have produced a tremendous amount of data on
the atomic arrangement and mineral properties. Quite often, structural analysis has led to …
the atomic arrangement and mineral properties. Quite often, structural analysis has led to …
Crystal chemistry and structural complexity of the uranyl carbonate minerals and synthetic compounds
Uranyl carbonates are one of the largest groups of secondary uranium (VI)-bearing natural
phases being represented by 40 minerals approved by the International Mineralogical …
phases being represented by 40 minerals approved by the International Mineralogical …
Structural complexity of natural uranyl sulfates
Uranyl sulfates, including those occurring in Nature (∼ 40 known members), possess
particularly interesting structures. They exhibit a great dimensional and topological diversity …
particularly interesting structures. They exhibit a great dimensional and topological diversity …
A structure hierarchy for silicate minerals: Chain, ribbon, and tube silicates
A structure hierarchy is developed for chain-, ribbon-and tube-silicate based on the
connectedness of one-dimensional polymerisations of (TO4) n− tetrahedra, where T= Si4+ …
connectedness of one-dimensional polymerisations of (TO4) n− tetrahedra, where T= Si4+ …
Modularity, polytypism, topology, and complexity of crystal structures of inorganic compounds
The modular approach is a powerful tool in current inorganic crystal chemistry. It enables not
only a more detailed analysis of the known structures and the determination of structural …
only a more detailed analysis of the known structures and the determination of structural …
A bond-topological approach to theoretical mineralogy: crystal structure, chemical composition and chemical reactions
FC Hawthorne - Physics and Chemistry of Minerals, 2012 - Springer
Here, I describe a theoretical approach to the structure and chemical composition of
minerals based on their bond topology. This approach allows consideration of many aspects …
minerals based on their bond topology. This approach allows consideration of many aspects …
A structure hierarchy for silicate minerals: sheet silicates
FC Hawthorne, YA Uvarova… - Mineralogical …, 2019 - pubs.geoscienceworld.org
The structure hierarchy hypothesis states that structures may be ordered hierarchically
according to the polymerisation of coordination polyhedra of higher bond-valence. A …
according to the polymerisation of coordination polyhedra of higher bond-valence. A …