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Now showing items 11-20 of 27
Ab Initio Molecular Dynamics Simulations of Ti-2 on C-20 Collisions and C20Ti2 Configurations
(ACS Publications, 2013-02-28)
Nuclear reactivity indices in the context of spin polarized density functional theory
(ELSEVIER, 2006-03-20)
Symmetric nonlocal weighted density approximations from the exchange-correlation hole of the uniform electron gas
(American Chemical Society, 2012)
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)