Browse Collection: S20_2+_calculations
https://iochem-bd.bsc.es/browse/handle/100/332362
S20_2+_calculations
2026-04-08T04:45:55Z
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/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
2024-12-04T14:53:54Z
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/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
2024-12-04T14:53:52Z
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/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
2024-12-04T14:53:48Z
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/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
2024-12-04T14:53:45Z