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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg2-Jul-2026/AB-DB Pleuromutilins - BC-7013 0 Pleuromutilins - BC-7013 0 elec-potHospital Gasch, Adam; Malloci, Giuliano; Gervasoni, SilviaGaussian; 16; ES64L-G16RevA.03Single point Structure#B3LYP6-31G(D,P)-1903.4952227; Eh
thumbnail.jpeg2-Jul-2026/AB-DB Quinolines - Nitroxoline 0 Quinolines - Nitroxoline 0 elec-potHospital Gasch, Adam; Malloci, Giuliano; Gervasoni, SilviaGaussian; 16; ES64L-G16RevA.03Single point Structure#B3LYP6-31G(D,P)-681.6694311; Eh
thumbnail.jpeg2-Jul-2026/AB-DB Macrolides - Miocamycin +1 Macrolides - Miocamycin +1 elec-potHospital Gasch, Adam; Malloci, Giuliano; Gervasoni, SilviaGaussian; 16; ES64L-G16RevA.03Single point Structure#B3LYP6-31G(D,P)-3091.5666389; Eh
thumbnail.jpeg2-Jul-2026/AB-DB Tetracyclines - Demeclocycline 0 Tetracyclines - Demeclocycline 0 opt-freqHospital Gasch, Adam; Malloci, Giuliano; Gervasoni, SilviaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumB3LYP6-31G(D,P)-1984.42229378; Eh
thumbnail.jpeg2-Jul-2026/AB-DB Sulphonamides - Sulfamethoxazole -1 Sulphonamides - Sulfamethoxazole -1 elec-potHospital Gasch, Adam; Malloci, Giuliano; Gervasoni, SilviaGaussian; 16; ES64L-G16RevA.03Single point Structure#B3LYP6-31G(D,P)-1175.1465346; Eh
thumbnail.jpeg2-Jul-2026/AB-DB Sulphonamides - Sulfamethazine -1 Sulphonamides - Sulfamethazine -1 elec-potHospital Gasch, Adam; Malloci, Giuliano; Gervasoni, SilviaGaussian; 16; ES64L-G16RevA.03Single point Structure#B3LYP6-31G(D,P)-1232.7677849; Eh
thumbnail.jpeg2-Jul-2026/AB-DB Macrolides - Flurithromycin +1 Macrolides - Flurithromycin +1 opt-freqHospital Gasch, Adam; Malloci, Giuliano; Gervasoni, SilviaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumB3LYP6-31G(D,P)-2582.66300166; Eh
thumbnail.jpeg2-Jul-2026/AB-DB Tetracyclines - Demeclocycline 0 Tetracyclines - Demeclocycline 0 elec-potHospital Gasch, Adam; Malloci, Giuliano; Gervasoni, SilviaGaussian; 16; ES64L-G16RevA.03Single point Structure#B3LYP6-31G(D,P)-1984.367801; Eh
thumbnail.jpeg2-Jul-2026/AB-DB Penicillins - Mecillinam 0 Penicillins - Mecillinam 0 opt-freqHospital Gasch, Adam; Malloci, Giuliano; Gervasoni, SilviaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumB3LYP6-31G(D,P)-1373.59003255; Eh
thumbnail.jpeg2-Jul-2026/AB-DB Macrolides - Flurithromycin +1 Macrolides - Flurithromycin +1 elec-potHospital Gasch, Adam; Malloci, Giuliano; Gervasoni, SilviaGaussian; 16; ES64L-G16RevA.03Single point Structure#B3LYP6-31G(D,P)-2582.567531; Eh
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