Benzene is not quite how we think it is (2020)
(springernature.com)
Benzene is a molecule at the heart of chemical culture, and a battleground for competing views on electronic structure. We applied an algorithm to extract Kekulé structures from a wave function, finding that electron correlation causes electrons of each spin to occupy alternate Kekulé structures.
Benzene is a molecule at the heart of chemical culture, and a battleground for competing views on electronic structure. We applied an algorithm to extract Kekulé structures from a wave function, finding that electron correlation causes electrons of each spin to occupy alternate Kekulé structures.