Browse Collection: ThiC_mechanism https://iochem-bd.bsc.es/browse/handle/100/438863 ThiC_mechanism Wed, 08 Apr 2026 02:43:26 GMT 2026-04-08T02:43:26Z AIR_opt https://iochem-bd.bsc.es/browse/handle/100/438875 Title: AIR_opt Authors: Cao, Yumeng Description: AIR structure optimization Wed, 02 Apr 2025 23:19:59 GMT https://iochem-bd.bsc.es/browse/handle/100/438875 2025-04-02T23:19:59Z TS_air_1 https://iochem-bd.bsc.es/browse/handle/100/438874 Title: TS_air_1 Authors: Cao, Yumeng Description: transition state from AIR to 1 intermediate Wed, 02 Apr 2025 23:19:55 GMT https://iochem-bd.bsc.es/browse/handle/100/438874 2025-04-02T23:19:55Z 1_opt https://iochem-bd.bsc.es/browse/handle/100/438873 Title: 1_opt Authors: Cao, Yumeng Description: Intermediate 1 structue optimization Wed, 02 Apr 2025 23:19:52 GMT https://iochem-bd.bsc.es/browse/handle/100/438873 2025-04-02T23:19:52Z 2_opt https://iochem-bd.bsc.es/browse/handle/100/438872 Title: 2_opt Authors: Cao, Yumeng Description: intermediate 2 structure optimization Wed, 02 Apr 2025 23:19:49 GMT https://iochem-bd.bsc.es/browse/handle/100/438872 2025-04-02T23:19:49Z