Nature of the chemical bonding in D 3 h [MH 3 M] + cations (M = Be, Mg)
Sign Up to like & getrecommendations! Published in 2020 at "International Journal of Quantum Chemistry"
DOI: 10.1002/qua.26183
Abstract: Motivated by the particularly short metal-metal distance that has been predicted for the D3h [BeH₃Be]⁺ cation, comparable to those anticipated for triple bonds, we investigate the nature of the bonding interactions in the D3h [MH₃M]⁺… read more here.
Keywords: nature chemical; chemistry; metal; chemical bonding ... See more keywords
Nature of the chemical interactions in the multifunctional ionic liquid tris(2-aminothiazolium) hydrogen sulfate sulfate monohydrate
Sign Up to like & getrecommendations! Published in 2021 at "Journal of Molecular Liquids"
DOI: 10.1016/j.molliq.2021.115366
Abstract: Abstract Nature of the chemical bonds and intermolecular interactions in the multifunctional ionic liquid tris(2-aminothiazolium) hydrogen sulfate sulfate monohydrate ([tr(2-AT]+[HSO4]−.SO42−.H2O) are investigated in the current work by means of density functional theory at B3LYP/6–311++G(d,p) level.… read more here.
Keywords: hydrogen; ionic liquid; multifunctional ionic; nature chemical ... See more keywords
The nature of the chemical bond in oxyanionic crystals based on QTAIM topological analysis of electron densities
Sign Up to like & getrecommendations! Published in 2019 at "RSC Advances"
DOI: 10.1039/c9ra01403a
Abstract: The QTAIM topological analysis of the calculated electron densities in oxyanionic crystals revealed the covalency criteria for metal–oxygen and hydrogen bonds. read more here.
Keywords: topological analysis; oxyanionic crystals; nature chemical; qtaim topological ... See more keywords