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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg2-Jul-2026/AB-DB Cephalosporins - Cefonicid -2 Cephalosporins - Cefonicid -2 elec-potHospital Gasch, Adam; Malloci, Giuliano; Gervasoni, SilviaGaussian; 16; ES64L-G16RevA.03Single point Structure#B3LYP6-31G(D,P)-2820.3948092; Eh
thumbnail.jpeg2-Jul-2026/AB-DB Carbapenems - Meropenem 0 Carbapenems - Meropenem 0 elec-potHospital Gasch, Adam; Malloci, Giuliano; Gervasoni, SilviaGaussian; 16; ES64L-G16RevA.03Single point Structure#B3LYP6-31G(D,P)-1601.3416739; Eh
thumbnail.jpeg2-Jul-2026/AB-DB Anti-tuberculosis - Pyrazinamide 0 Anti-tuberculosis - Pyrazinamide 0 opt-freqHospital Gasch, Adam; Malloci, Giuliano; Gervasoni, SilviaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumB3LYP6-31G(D,P)-433.046899852; Eh
thumbnail.jpeg2-Jul-2026/AB-DB Tetracyclines - Pipacycline +1 Tetracyclines - Pipacycline +1 opt-freqHospital Gasch, Adam; Malloci, Giuliano; Gervasoni, SilviaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumB3LYP6-31G(D,P)-2024.49968995; Eh
thumbnail.jpeg2-Jul-2026/AB-DB Pleuromutilins - Lefamulin +1 Pleuromutilins - Lefamulin +1 opt-freqHospital Gasch, Adam; Malloci, Giuliano; Gervasoni, SilviaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumB3LYP6-31G(D,P)-1923.65284227; Eh
thumbnail.jpeg2-Jul-2026/AB-DB Quinoxalines - Olaquindox 0 Quinoxalines - Olaquindox 0 opt-freqHospital Gasch, Adam; Malloci, Giuliano; Gervasoni, SilviaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumB3LYP6-31G(D,P)-930.189466965; Eh
thumbnail.jpeg2-Jul-2026/AB-DB Tetracyclines - Pipacycline +1 Tetracyclines - Pipacycline +1 elec-potHospital Gasch, Adam; Malloci, Giuliano; Gervasoni, SilviaGaussian; 16; ES64L-G16RevA.03Single point Structure#B3LYP6-31G(D,P)-2024.3892588; Eh
thumbnail.jpeg2-Jul-2026/AB-DB Pleuromutilins - Lefamulin +1 Pleuromutilins - Lefamulin +1 elec-potHospital Gasch, Adam; Malloci, Giuliano; Gervasoni, SilviaGaussian; 16; ES64L-G16RevA.03Single point Structure#B3LYP6-31G(D,P)-1923.5428976; Eh
thumbnail.jpeg2-Jul-2026/AB-DB Ionophores - Monensin -1 Ionophores - Monensin -1 opt-freqHospital Gasch, Adam; Malloci, Giuliano; Gervasoni, SilviaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumB3LYP6-31G(D,P)-2236.26990454; Eh
thumbnail.jpeg2-Jul-2026/AB-DB Quinoxalines - Olaquindox 0 Quinoxalines - Olaquindox 0 elec-potHospital Gasch, Adam; Malloci, Giuliano; Gervasoni, SilviaGaussian; 16; ES64L-G16RevA.03Single point Structure#B3LYP6-31G(D,P)-930.1745278; Eh
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