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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg2-Jul-2026/AB-DB Anti-tuberculosis - Para-aminosalicylic acid -1 Anti-tuberculosis - Para-aminosalicylic acid -1 elec-potHospital Gasch, Adam; Malloci, Giuliano; Gervasoni, SilviaGaussian; 16; ES64L-G16RevA.03Single point Structure#B3LYP6-31G(D,P)-550.8219866; Eh
thumbnail.jpeg2-Jul-2026/AB-DB Aminocoumarins - Vanillobiocin -1 Aminocoumarins - Vanillobiocin -1 opt-freqHospital Gasch, Adam; Malloci, Giuliano; Gervasoni, SilviaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumB3LYP6-31G(D,P)-2671.96073351; Eh
thumbnail.jpeg2-Jul-2026/AB-DB Aminocoumarins - Ribostamycin +3 Aminocoumarins - Ribostamycin +3 opt-freqHospital Gasch, Adam; Malloci, Giuliano; Gervasoni, SilviaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumB3LYP6-31G(D,P)-1640.92067722; Eh
thumbnail.jpeg2-Jul-2026/AB-DB Aminocoumarins - Vanillobiocin -1 Aminocoumarins - Vanillobiocin -1 elec-potHospital Gasch, Adam; Malloci, Giuliano; Gervasoni, SilviaGaussian; 16; ES64L-G16RevA.03Single point Structure#B3LYP6-31G(D,P)-2671.8512501; Eh
thumbnail.jpeg2-Jul-2026/AB-DB Detergents - Dodecyl sulfate -1 Detergents - Dodecyl sulfate -1 opt-freqHospital Gasch, Adam; Malloci, Giuliano; Gervasoni, SilviaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumB3LYP6-31G(D,P)-1171.58244795; Eh
thumbnail.jpeg2-Jul-2026/AB-DB Aminocoumarins - Ribostamycin +3 Aminocoumarins - Ribostamycin +3 elec-potHospital Gasch, Adam; Malloci, Giuliano; Gervasoni, SilviaGaussian; 16; ES64L-G16RevA.03Single point Structure#B3LYP6-31G(D,P)-1640.4389448; Eh
thumbnail.jpeg2-Jul-2026/AB-DB Detergents - Dodecyl sulfate -1 Detergents - Dodecyl sulfate -1 elec-potHospital Gasch, Adam; Malloci, Giuliano; Gervasoni, SilviaGaussian; 16; ES64L-G16RevA.03Single point Structure#B3LYP6-31G(D,P)-1171.4856525; Eh
thumbnail.jpeg2-Jul-2026/AB-DB Macrolides - Tildipirosin +3 Macrolides - Tildipirosin +3 elec-potHospital Gasch, Adam; Malloci, Giuliano; Gervasoni, SilviaGaussian; 16; ES64L-G16RevA.03Single point Structure#B3LYP6-31G(D,P)-2372.1740102; Eh
thumbnail.jpeg2-Jul-2026/AB-DB Oxazolidinones - Eperezolid 0 Oxazolidinones - Eperezolid 0 opt-freqHospital Gasch, Adam; Malloci, Giuliano; Gervasoni, SilviaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumB3LYP6-31G(D,P)-1394.81683681; Eh
thumbnail.jpeg2-Jul-2026/AB-DB Oxazolidinones - Posizolid 0 Oxazolidinones - Posizolid 0 opt-freqHospital Gasch, Adam; Malloci, Giuliano; Gervasoni, SilviaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumB3LYP6-31G(D,P)-1703.35736992; Eh
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