New #crazywavefunction project paper. We use a tesselation of the 3Nd wave function to isolate the energies of bonding electrons. The C-C bond is just like H2! #chemsky
#theochem
pubs.acs.org/doi/10.1021/...
#theochem
pubs.acs.org/doi/10.1021/...
Energetics of Covalent Bonding from Wave Function Tiles
The mechanism of covalent bonding has been debated for a century, with proponents variously championing kinetic or potential energy as the driver. While detailed calculations have revealed the bonding...
pubs.acs.org
April 5, 2025 at 9:04 PM
New #crazywavefunction project paper. We use a tesselation of the 3Nd wave function to isolate the energies of bonding electrons. The C-C bond is just like H2! #chemsky
#theochem
pubs.acs.org/doi/10.1021/...
#theochem
pubs.acs.org/doi/10.1021/...