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Sentences with phrase «density functional theory employs»
Density functional theory employs
the same QM theory in calculations of x-ray absorption spectra (XAS).
http://planet3.org/
Not exact matches
Molecular dynamics and
density
functional
theory
will be
employed
to catalog the binding energy of adsorption of a host of organic compounds as identified by Project 1.1, onto mineral grains.
http://eos-nexus.org/
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