Browse Collection: AB-DB dataset https://iochem-bd.bsc.es/browse/handle/100/499789 AB-DB dataset Thu, 02 Jul 2026 17:50:51 GMT 2026-07-02T17:50:51Z /AB-DB Sulphonamides - Sulfametomidine -1 Sulphonamides - Sulfametomidine -1 opt-freq https://iochem-bd.bsc.es/browse/handle/100/500765 Title: /AB-DB Sulphonamides - Sulfametomidine -1 Sulphonamides - Sulfametomidine -1 opt-freq Authors: Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia Abstract: DFT geometry optimization and frequency analysis in implicit solvent for the [Sulphonamides - Sulfametomidine -1] compound included in the AB-DB v2.0 DB (https://mmb.irbbarcelona.org/ABDB/compounds/ABDB037031); MDDB link: [https://mdposit.mddbr.eu/#/id/MD-A007XN] Thu, 02 Jul 2026 06:53:14 GMT https://iochem-bd.bsc.es/browse/handle/100/500765 2026-07-02T06:53:14Z /AB-DB Sulphonamides - Sulfametomidine -1 Sulphonamides - Sulfametomidine -1 elec-pot https://iochem-bd.bsc.es/browse/handle/100/500766 Title: /AB-DB Sulphonamides - Sulfametomidine -1 Sulphonamides - Sulfametomidine -1 elec-pot Authors: Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia Abstract: Single-point energy calculation in vacuum for the [Sulphonamides - Sulfametomidine -1] compound included in the AB-DB v2.0 DB (https://mmb.irbbarcelona.org/ABDB/compounds/ABDB037031); MDDB link: [https://mdposit.mddbr.eu/#/id/MD-A007XN] Thu, 02 Jul 2026 06:53:14 GMT https://iochem-bd.bsc.es/browse/handle/100/500766 2026-07-02T06:53:14Z /AB-DB Macrolides - Tilmicosin +2 Macrolides - Tilmicosin +2 opt-freq https://iochem-bd.bsc.es/browse/handle/100/500767 Title: /AB-DB Macrolides - Tilmicosin +2 Macrolides - Tilmicosin +2 opt-freq Authors: Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia Abstract: DFT geometry optimization and frequency analysis in implicit solvent for the [Macrolides - Tilmicosin +2] compound included in the AB-DB v2.0 DB (https://mmb.irbbarcelona.org/ABDB/compounds/ABDB012022); MDDB link: [https://mdposit.mddbr.eu/#/id/MD-A007VQ] Thu, 02 Jul 2026 06:53:16 GMT https://iochem-bd.bsc.es/browse/handle/100/500767 2026-07-02T06:53:16Z /AB-DB Macrolides - Tilmicosin +2 Macrolides - Tilmicosin +2 elec-pot https://iochem-bd.bsc.es/browse/handle/100/500768 Title: /AB-DB Macrolides - Tilmicosin +2 Macrolides - Tilmicosin +2 elec-pot Authors: Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia Abstract: Single-point energy calculation in vacuum for the [Macrolides - Tilmicosin +2] compound included in the AB-DB v2.0 DB (https://mmb.irbbarcelona.org/ABDB/compounds/ABDB012022); MDDB link: [https://mdposit.mddbr.eu/#/id/MD-A007VQ] Thu, 02 Jul 2026 06:53:16 GMT https://iochem-bd.bsc.es/browse/handle/100/500768 2026-07-02T06:53:16Z