Synthesis, lattice energy and microwave dielectric properties of BaCu2-Co Si2O7 ceramics
Sign Up to like & getrecommendations! Published in 2020 at "Journal of The European Ceramic Society"
DOI: 10.1016/j.jeurceramsoc.2020.02.048
Abstract: Abstract BaCu2-xCoxSi2O7 solid solutions with orthorhombic structure (Pnma) were prepared by solid-state reaction method. The phase synthesis process, structural evolution and microwave dielectric properties of BaCu2-xCoxSi2O7 ceramics were investigated. Single BaCu2Si2O7 phase was obtained when… read more here.
Keywords: bacu2 xcoxsi2o7; energy; dielectric properties; lattice energy ... See more keywords
Conformational flexibility and packing plausibility of repaglinide polymorphs
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Molecular Structure"
DOI: 10.1016/j.molstruc.2017.12.036
Abstract: Abstract The present manuscript highlights the structural insight into the repaglinide polymorphs. The experimental screening for the possible crystal forms were carried out using various solvents, which generated three forms. The crystal structure of Form… read more here.
Keywords: lattice energy; conformational flexibility; polymorphs; repaglinide polymorphs ... See more keywords
Experimental tests for quality validation of computationally predicted crystal structures – a case of a conformationally flexible procyanidin A-2 dihydrate
Sign Up to like & getrecommendations! Published in 2017 at "CrystEngComm"
DOI: 10.1039/c7ce00618g
Abstract: Crystal structure prediction (CSP) of large, flexible, multi-component crystals is currently one of the most challenging computational tasks. In this work, we present a new approach to the CSP procedure, in which computationally generated crystal… read more here.
Keywords: crystal structure; experimental tests; procyanidin dihydrate; crystal structures ... See more keywords