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Sentences with phrase «corrected density functional theory»
His 15 - page chapter shows how these insights were obtained using dispersion -
corrected density functional theory
and ab initio molecular dynamics.
https://www.pnnl.gov/
The theoreticians used molecular dynamics and dispersion -
corrected density functional theory
, powerful calculations and simulations that explained the results obtained in the experiments.
https://www.pnnl.gov/
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