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Interaction of Nitroxide Radicals with an Au8 Nanostructure: Theoretical and Calorimetric Studies
(American Chemical Society, 2019)
Predicting deprotonation sites using alchemical derivatives
(American Chemical Society, 2020)
Understanding chemical reactivity in extended systems: exploring models of chemical softness in carbon nanotubes
(Peking University Press, 2018)
Condensation of the highest occupied molecular orbital within the electron localization function domains
(INDIAN ACADEMY SCIENCES, 2005-09)
Nuclear reactivity indices in the context of spin polarized density functional theory
(ELSEVIER, 2006-03-20)
Theoretical study of the surface reactivity of alkaline earth oxides: Local density of states evaluation of the local softness
(AMER INST PHYSICS, 2008-01-17)
How to Compute the Fukui Matrix and Function for Systems with (Quasi-)Degenerate States
(American Chemical Society, 2014)