Browse Collection: Ti_DOTA https://iochem-bd.bsc.es/browse/handle/100/319824 Ti_DOTA Thu, 09 Apr 2026 10:13:05 GMT 2026-04-09T10:13:05Z /PBEPBE_GD3MBJ_SMDwater_def2_TZVP M1 https://iochem-bd.bsc.es/browse/handle/100/319872 Title: /PBEPBE_GD3MBJ_SMDwater_def2_TZVP M1 Authors: Foscato, Marco Description: gas phase geometry optimization + frequencies Thu, 14 Mar 2024 14:37:08 GMT https://iochem-bd.bsc.es/browse/handle/100/319872 2024-03-14T14:37:08Z /PBEPBE_GD3MBJ_SMDwater_def2_TZVP M2 https://iochem-bd.bsc.es/browse/handle/100/319871 Title: /PBEPBE_GD3MBJ_SMDwater_def2_TZVP M2 Authors: Foscato, Marco Description: gas phase geometry optimization + frequencies Thu, 14 Mar 2024 14:37:05 GMT https://iochem-bd.bsc.es/browse/handle/100/319871 2024-03-14T14:37:05Z /PBEPBE_GD3MBJ_SMDwater_def2_TZVP M3 https://iochem-bd.bsc.es/browse/handle/100/319870 Title: /PBEPBE_GD3MBJ_SMDwater_def2_TZVP M3 Authors: Foscato, Marco Description: gas phase geometry optimization + frequencies Thu, 14 Mar 2024 14:36:59 GMT https://iochem-bd.bsc.es/browse/handle/100/319870 2024-03-14T14:36:59Z /PBEPBE_GD3MBJ_SMDwater_def2_TZVP M4 https://iochem-bd.bsc.es/browse/handle/100/319869 Title: /PBEPBE_GD3MBJ_SMDwater_def2_TZVP M4 Authors: Foscato, Marco Description: gas phase geometry optimization + frequencies Thu, 14 Mar 2024 14:36:54 GMT https://iochem-bd.bsc.es/browse/handle/100/319869 2024-03-14T14:36:54Z