Dear Netters, UHF wave function can be used for the bond breaking/bond forming systems in single bonds. But can UHF be used in the simultaneous bond-breaking and bond-forming (like metathetical reactions A--B+C --> A + B--C)?if it can be used, could anyone please give me some details (help will be greately appreciated if a proper reference can be provided) on this aspect. Thanks to all in advance Sridhar e.mail : ipcakc.,at,.ipc.iisc.ernet.in