DFT Modeling of Polyethylene Chains Cross-linked by Selected ns1 and ns2 Metal Atoms

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By Miroslav Urban, Jiří Pittner, Dávid Vrška, Pavel Neogrády
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A: Structure, Spectroscopy, and Reactivity of Molecules and ClustersSeptember 2, 2024 Dávid Vrška Department of Physical and Theoretical Chemistry, Faculty of Natural Sciences, Comenius University in Bratislava, Ilkovičova 6, Bratislava SK-84215, Slovakia Miroslav Urban Department of Physical and Theoretical Chemistry, Faculty of Natural Sciences, Comenius University in Bratislava, Ilkovičova 6, Bratislava SK-84215, Slovakia Pavel Neogrády Department of Physical and Theoretical Chemistry,...
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