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Royal Society of Chemistry, Polymer Chemistry, 42(13), p. 5993-6001, 2022
DOI: 10.1039/d2py00960a
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Molecular level understanding of the chalcogen atom effect on chalcogen-based polymers through electrostatic potential, non-covalent interactions, excited state behaviour, and radial distribution function
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Abstract
Multi-dimensional modelling was used to study the effect of chalcogen atoms on the non-covalent interactions, structural and electronic properties of polymer materials. Their bulk properties were also studied at the molecular level.