Browse Collection: DFT calculations, Catalyst, Organocatalysis, Five-membered Cyclocarbonates, Six-membered Cyclocarbonates
DFT calculations, Catalyst, Organocatalysis, Five-membered Cyclocarbonates, Six-membered Cyclocarbonates
https://iochem-bd.iciq.es/browse/handle/100/24761
2026-04-11T08:16:26Z
2026-04-11T08:16:26Z
5MCC-OH_(and_TBD)
Villar-Yanez, Alba
https://iochem-bd.iciq.es/browse/handle/100/24783
2020-07-16T08:57:23Z
2020-05-19T12:00:09Z
Title: 5MCC-OH_(and_TBD)
Authors: Villar-Yanez, Alba
Description: Initial Reactants: 5MCC-OH with TBD
2020-05-19T12:00:09Z
TS1
Villar-Yanez, Alba
https://iochem-bd.iciq.es/browse/handle/100/24782
2020-07-16T08:57:23Z
2020-05-19T12:00:06Z
Title: TS1
Authors: Villar-Yanez, Alba
Description: Transition State1: 5MCC-O-H-TBD (H abstraction by TBD)
2020-05-19T12:00:06Z
5MCC-O_(and_TBD-H(+))
Villar-Yanez, Alba
https://iochem-bd.iciq.es/browse/handle/100/24781
2020-07-16T08:57:23Z
2020-05-19T12:00:03Z
Title: 5MCC-O_(and_TBD-H(+))
Authors: Villar-Yanez, Alba
Description: Alcoxide 5MCC-O(-) with TBD-H(+)
2020-05-19T12:00:03Z
5MCC-Int_(and_TBD-H(+))
Villar-Yanez, Alba
https://iochem-bd.iciq.es/browse/handle/100/24780
2020-07-16T08:57:24Z
2020-05-19T12:00:00Z
Title: 5MCC-Int_(and_TBD-H(+))
Authors: Villar-Yanez, Alba
Description: 5MCC-O(-) Intermediate structure with TBD-H(+). Alcoxide group is near to C Carbonyl
2020-05-19T12:00:00Z