Automerization of Cyclobutadiene: Multiconfiguration Pair-Density Functional Theory Gives High Accuracy Where Unrestricted Kohn–Sham Density Functional Theory Does Not.
| Published in: | Journal of the American Chemical Society Vol. 148; no. 8; pp. 8664 - 8677 |
|---|---|
| Main Authors: | , |
| Format: | Article |
| Published: |
American Chemical Society
3/4/2026
|
| Online Access: | View this record in EBSCOhost |
| Description not available. |