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Amsterdam density functional ADF computer program

Amsterdam Density Functional (ADF) is an accurate, parallelized, and powerful computational chemistiy program used to understand and predict chemical stmcture and reactivity with DFT [60], It is a popular tool to predict and imderstand magnetic, electric, optical, and vibrational spectra [61]. Heavy elements and transition metals can be modeled with ADF s relativistic zeroth order regular approximation (ZORA) approach and all-electron basis sets for the whole periodic table. It can be nsed to compnte IR freqnencies and intensities, vibrational circular dichroism (VCD), mobile block Hes-... [Pg.391]

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See also in sourсe #XX -- [ Pg.246 ]

See also in sourсe #XX -- [ Pg.246 ]



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ADF computer program

Amsterdam

Amsterdam Density Functional

Amsterdam Density Functional program

Amsterdam density functional (ADF

Amsterdam density functional computer program

Computer programming

Computer programming function

Density programming

Density, computation

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