Structural, biological and in-silico study of quinoline-based chalcogensemicarbazones

Klisurić, Olivera R.; Armaković, Sanja J.; Kokanov, Sanja B.; Todorović, Tamara R.; Portalone, Gustavo; Novović, Katarina; Lozo, Jelena; Filipović, Nenad R.

doi:10.1016/j.molstruc.2019.127482

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Local Reactivity and Bonding In 1-31

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Cited by 6 publications

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“…Since ALIE represents the energy required for taking an electron from the molecule, it is used to recognize the molecular sites that are likely to be subjected to electrophilic attacks. In addition, Fukui indices are another type of quantum molecular descriptor considered relative indicators of molecule reactivity [27] . QTAIM analysis shows the electron density distribution, which is indicative of the bonding environment in the molecule.…”

Section: Local Reactivity and Bonding In 1-3mentioning

confidence: 99%