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“What I really like about ADF is that the programs were clearly written by chemists for dealing with real chemical problems. A great suite of programs!”
Roald Hoffmann, Nobel Laureate
Key concepts: bonding analysis, catalysis, Reactivity
Key concepts: heavy elements, NMR, optoelectronics, perovskite, Relativistic DFT, solar cells
Key concepts: BAND, catalysis, periodic DFT, Relativistic DFT, solvation