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Recent Developments in Conceptual Density Functional Theory; Theory and Applications (Abstr)

2005
De Proft, Frank, Geerlings, Paul
openaire   +1 more source

Conceptual Density Functional Theory: Toward an Alternative Understanding of Noncovalent Interactions

2009
openaire   +1 more source
conceptual dft
density functional theory
molecular electron density theory
chemical reactivity
chemistry
pka
bioactivity scores
chemical reactivity theory
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