Browse Collection: DFT calculations, Catalyst, Organocatalysis, Five-membered Cyclocarbonates, Six-membered Cyclocarbonates
https://iochem-bd.iciq.es/browse/handle/100/24761
DFT calculations, Catalyst, Organocatalysis, Five-membered Cyclocarbonates, Six-membered Cyclocarbonates
2026-04-10T21:03:58Z
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5MCC-OH_(and_TBD)
https://iochem-bd.iciq.es/browse/handle/100/24783
Title: 5MCC-OH_(and_TBD)
Authors: Villar-Yanez, Alba
Description: Initial Reactants: 5MCC-OH with TBD
2020-05-19T12:00:09Z
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TS1
https://iochem-bd.iciq.es/browse/handle/100/24782
Title: TS1
Authors: Villar-Yanez, Alba
Description: Transition State1: 5MCC-O-H-TBD (H abstraction by TBD)
2020-05-19T12:00:06Z
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5MCC-O_(and_TBD-H(+))
https://iochem-bd.iciq.es/browse/handle/100/24781
Title: 5MCC-O_(and_TBD-H(+))
Authors: Villar-Yanez, Alba
Description: Alcoxide 5MCC-O(-) with TBD-H(+)
2020-05-19T12:00:03Z
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5MCC-Int_(and_TBD-H(+))
https://iochem-bd.iciq.es/browse/handle/100/24780
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