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Now showing items 1-10 of 27
A numerical study of the Lieb-Thirring kinetic energy lower bound
(Taylor and Francis, 2016)
Computing the Fukui Function in solid-state chemistry: application to alkaline earth oxides bulk and surfaces
(American Chemical Society, 2020)
Magnon valley Hall effect in CrI3-based van der Waals heterostructures
(American Physical Society, 2020)
Condensation of the highest occupied molecular orbital within the electron localization function domains
(INDIAN ACADEMY SCIENCES, 2005-09)
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)
Nuclear reactivity indices in the context of spin polarized density functional theory
(ELSEVIER, 2006-03-20)
Atomic Charges and the Electrostatic Potential Are Ill-Defined in Degenerate Ground States
(American Chemical Society, 2013)