Browse Collection: ThiC_mechanism
ThiC_mechanism
https://iochem-bd.bsc.es/browse/handle/100/438863
2026-04-08T01:11:49Z
2026-04-08T01:11:49Z
AIR_opt
Cao, Yumeng
https://iochem-bd.bsc.es/browse/handle/100/438875
2025-04-02T21:21:51Z
2025-04-02T23:19:59Z
Title: AIR_opt
Authors: Cao, Yumeng
Description: AIR structure optimization
2025-04-02T23:19:59Z
TS_air_1
Cao, Yumeng
https://iochem-bd.bsc.es/browse/handle/100/438874
2025-04-02T21:21:51Z
2025-04-02T23:19:55Z
Title: TS_air_1
Authors: Cao, Yumeng
Description: transition state from AIR to 1 intermediate
2025-04-02T23:19:55Z
1_opt
Cao, Yumeng
https://iochem-bd.bsc.es/browse/handle/100/438873
2025-04-02T21:21:52Z
2025-04-02T23:19:52Z
Title: 1_opt
Authors: Cao, Yumeng
Description: Intermediate 1 structue optimization
2025-04-02T23:19:52Z
2_opt
Cao, Yumeng
https://iochem-bd.bsc.es/browse/handle/100/438872
2025-04-02T21:21:52Z
2025-04-02T23:19:49Z
Title: 2_opt
Authors: Cao, Yumeng
Description: intermediate 2 structure optimization
2025-04-02T23:19:49Z