Results 291 to 293 of about 10,809,308 (293)
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Chemical Reactivity Concepts in Density Functional Theory

2009
openaire   +2 more sources

Some recent theories of chemical reactivity.

Research; a journal of science and its applications, 2004
openaire   +1 more source

Conceptual Density Functional Theory of Chemical Reactivity

2015
openaire   +1 more source
conceptual dft
density functional theory
chemistry
pka
chemical reactivity
computational chemistry
dft
bioactivity scores
molecular modeling
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