Browse Collection: S20_2+_calculations https://iochem-bd.bsc.es/browse/handle/100/332362 S20_2+_calculations Wed, 08 Apr 2026 01:33:10 GMT 2026-04-08T01:33:10Z /geometry_optimization/s7ssh+ s7ssh+_isomerA https://iochem-bd.bsc.es/browse/handle/100/332460 Title: /geometry_optimization/s7ssh+ s7ssh+_isomerA Authors: Nierstenhöfer, Marc Christian Description: opt+freq GD3BJ+PBE0/def2-TZVPP Wed, 04 Dec 2024 14:53:54 GMT https://iochem-bd.bsc.es/browse/handle/100/332460 2024-12-04T14:53:54Z /geometry_optimization/s7ssh+ s7ssh+_isomerB https://iochem-bd.bsc.es/browse/handle/100/332458 Title: /geometry_optimization/s7ssh+ s7ssh+_isomerB Authors: Nierstenhöfer, Marc Christian Description: opt+freq GD3BJ+PBEO/def2-TZVPP Wed, 04 Dec 2024 14:53:52 GMT https://iochem-bd.bsc.es/browse/handle/100/332458 2024-12-04T14:53:52Z /geometry_optimization/s7sh+ s7sh+_isomerA https://iochem-bd.bsc.es/browse/handle/100/332457 Title: /geometry_optimization/s7sh+ s7sh+_isomerA Authors: Nierstenhöfer, Marc Christian Description: opt+freq GD3BJ+PBEO/def2-TZVPP Wed, 04 Dec 2024 14:53:48 GMT https://iochem-bd.bsc.es/browse/handle/100/332457 2024-12-04T14:53:48Z /geometry_optimization/s7sh+ s7sh+_isomerB https://iochem-bd.bsc.es/browse/handle/100/332455 Title: /geometry_optimization/s7sh+ s7sh+_isomerB Authors: Nierstenhöfer, Marc Christian Description: opt+freq GD3BJ+PBEO/def2-TZVPP Wed, 04 Dec 2024 14:53:45 GMT https://iochem-bd.bsc.es/browse/handle/100/332455 2024-12-04T14:53:45Z