Chemistry

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earned this badge 4 times.
Strange “far out” orbitals in HF and DFT calculations. Why do they occur?
Awarded May 15 '19 at 14:30
PBE vs. PBEPBE functional
Awarded Jan 15 '19 at 16:45
Why is the 2-position of pyridine electron richer than the 4 position
Awarded Jul 10 '17 at 20:59
Canonical MOs vs. Localized MOs: Do both represent reality in the same way?
Awarded Feb 21 '17 at 11:46

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