Browse Collection: Open_Shell_DFT
Open_Shell_DFT
https://iochem-bd.bsc.es/browse/handle/100/492992
2026-04-28T18:29:04Z
2026-04-28T18:29:04Z
/Radical_Abstractions/XAT TS_XAT
Funes, Ignacio
https://iochem-bd.bsc.es/browse/handle/100/493039
2026-04-20T09:29:36Z
2026-04-20T09:27:45Z
Title: /Radical_Abstractions/XAT TS_XAT
Authors: Funes, Ignacio
Abstract: Transition State
2026-04-20T09:27:45Z
/Radical_Abstractions/XAT/IRC IRC_forward
Funes, Ignacio
https://iochem-bd.bsc.es/browse/handle/100/493040
2026-04-20T09:29:36Z
2026-04-20T09:27:45Z
Title: /Radical_Abstractions/XAT/IRC IRC_forward
Authors: Funes, Ignacio
Abstract: Checking the nature of the TS
2026-04-20T09:27:45Z
/Radical_Abstractions/XAT/IRC IRC_reverse
Funes, Ignacio
https://iochem-bd.bsc.es/browse/handle/100/493041
2026-04-20T09:29:36Z
2026-04-20T09:27:45Z
Title: /Radical_Abstractions/XAT/IRC IRC_reverse
Authors: Funes, Ignacio
Abstract: Checking the nature of the TS
2026-04-20T09:27:45Z
/Radical_Abstractions/XAT add1_XAT
Funes, Ignacio
https://iochem-bd.bsc.es/browse/handle/100/493038
2026-04-20T09:29:36Z
2026-04-20T09:27:45Z
Title: /Radical_Abstractions/XAT add1_XAT
Authors: Funes, Ignacio
Abstract: Optimization
2026-04-20T09:27:45Z