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Conceptual DFT study of antioxidant activity of carotenoids and its radicals

Structural Chemistry
Francisco J. Tenorio   +1 more
openaire   +1 more source

Conceptual DFT: the Chemical Relevance of Higher Order Response Functions

2008
Geerlings, Paul, De Proft, Frank
openaire   +1 more source
dft
computational chemistry
pka
chemical reactivity theory
conceptual density functional theory
renewable energy sources
dual descriptor
chemistry
molecular electron density theory
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