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Now showing items 11-16 of 16
Nuclear reactivity indices in the context of spin polarized density functional theory
(ELSEVIER, 2006-03-20)
Predicting deprotonation sites using alchemical derivatives
(American Chemical Society, 2020)
Interaction of Nitroxide Radicals with an Au8 Nanostructure: Theoretical and Calorimetric Studies
(American Chemical Society, 2019)
Understanding chemical reactivity in extended systems: exploring models of chemical softness in carbon nanotubes
(Peking University Press, 2018)