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ADF

yourlogo1.png ADF (Amsterdam Density Functional) is an accurate, parallelized, powerful computational chemistry program to understand and predict chemical structure and reactivity with density functional theory (DFT). Heavy elements and transition metals are accurately modeled with ADF’s reliable relativistic ZORA approach and all-electron basis sets for the whole periodic table. A vast range of spectroscopic properties and comprehensive analysis tools yield invaluable insight in chemical structure and reactivity. DFT calculations are easily prepared and analyzed using its own GUI.
License: Commercial License
OS: Linux, Mac, and Windows
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