Browse Collection: AB-DB dataset
AB-DB dataset
https://iochem-bd.bsc.es/browse/handle/100/499789
2026-07-02T19:27:30Z
2026-07-02T19:27:30Z
/AB-DB Sulphonamides - Sulfametomidine -1 Sulphonamides - Sulfametomidine -1 opt-freq
Hospital Gasch, Adam
Malloci, Giuliano
Gervasoni, Silvia
https://iochem-bd.bsc.es/browse/handle/100/500765
2026-07-02T06:55:28Z
2026-07-02T06:53:14Z
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]
2026-07-02T06:53:14Z
/AB-DB Sulphonamides - Sulfametomidine -1 Sulphonamides - Sulfametomidine -1 elec-pot
Hospital Gasch, Adam
Malloci, Giuliano
Gervasoni, Silvia
https://iochem-bd.bsc.es/browse/handle/100/500766
2026-07-02T06:55:28Z
2026-07-02T06:53:14Z
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]
2026-07-02T06:53:14Z
/AB-DB Macrolides - Tilmicosin +2 Macrolides - Tilmicosin +2 opt-freq
Hospital Gasch, Adam
Malloci, Giuliano
Gervasoni, Silvia
https://iochem-bd.bsc.es/browse/handle/100/500767
2026-07-02T06:55:28Z
2026-07-02T06:53:16Z
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]
2026-07-02T06:53:16Z
/AB-DB Macrolides - Tilmicosin +2 Macrolides - Tilmicosin +2 elec-pot
Hospital Gasch, Adam
Malloci, Giuliano
Gervasoni, Silvia
https://iochem-bd.bsc.es/browse/handle/100/500768
2026-07-02T06:55:28Z
2026-07-02T06:53:16Z
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]
2026-07-02T06:53:16Z