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Halogen bonds as a tool in the design of high energetic materials: evidence from crystal structures and quantum chemical calculations
(Royal Society of Chemistry, 2021)
Positive electrostatic potential over the central area of the molecular surface is one of the main characteristics of high energetic materials (HEMs) that determines their sensitivity towards detonation. The influence of ...
2D and 3D silver-based coordination polymers with thiomorpholine-4-carbonitrile and piperazine-1,4-dicarbonitrile: structure, intermolecular interactions, photocatalysis, and thermal behavior
(Royal Society of Chemistry, 2021)
Four silver-based coordination polymers, {[Ag(L1)2]NO3}∞(1), {[Ag(L1)2]ClO4}∞(2), {[Ag(L2)2]NO3·H2O}∞(3) and {[Ag(L2)2]ClO4}∞(4), were synthesized using the thiomorpholine-4-carbonitrile (L1) and piperazine-1,4-dicarbonitrile ...
Geometrical and energetic characteristics of Se⋯Se interactions in crystal structures of organoselenium molecules
(The Royal Society of Chemistry, 2021)
Non-covalent selenium–selenium interactions between selenium-containing organic molecules were studied in crystal structures from the Cambridge Structural Database and by high-level quantum chemical calculations. Se⋯Se ...