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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg2-Jul-2026/AB-DB Macrolides - Tylosin +1 Macrolides - Tylosin +1 elec-potHospital Gasch, Adam; Malloci, Giuliano; Gervasoni, SilviaGaussian; 16; ES64L-G16RevA.03Single point Structure#B3LYP6-31G(D,P)-3133.1260193; Eh
thumbnail.jpeg2-Jul-2026/AB-DB Lincosamides - Desalicetin +1 Lincosamides - Desalicetin +1 opt-freqHospital Gasch, Adam; Malloci, Giuliano; Gervasoni, SilviaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumB3LYP6-31G(D,P)-1701.82322485; Eh
thumbnail.jpeg2-Jul-2026/AB-DB Nucleosides - A-500359A 0 Nucleosides - A-500359A 0 opt-freqHospital Gasch, Adam; Malloci, Giuliano; Gervasoni, SilviaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumB3LYP6-31G(D,P)-2110.98730320; Eh
thumbnail.jpeg2-Jul-2026/AB-DB Macrolides - Erythromycin +1 Macrolides - Erythromycin +1 opt-freqHospital Gasch, Adam; Malloci, Giuliano; Gervasoni, SilviaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumB3LYP6-31G(D,P)-2483.46397411; Eh
thumbnail.jpeg2-Jul-2026/AB-DB Monobactams - Oximonam -1 Monobactams - Oximonam -1 opt-freqHospital Gasch, Adam; Malloci, Giuliano; Gervasoni, SilviaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumB3LYP6-31G(D,P)-1589.04590953; Eh
thumbnail.jpeg2-Jul-2026/AB-DB Lincosamides - Desalicetin +1 Lincosamides - Desalicetin +1 elec-potHospital Gasch, Adam; Malloci, Giuliano; Gervasoni, SilviaGaussian; 16; ES64L-G16RevA.03Single point Structure#B3LYP6-31G(D,P)-1701.7321062; Eh
thumbnail.jpeg2-Jul-2026/AB-DB Nucleosides - A-500359A 0 Nucleosides - A-500359A 0 elec-potHospital Gasch, Adam; Malloci, Giuliano; Gervasoni, SilviaGaussian; 16; ES64L-G16RevA.03Single point Structure#B3LYP6-31G(D,P)-2110.9448099; Eh
thumbnail.jpeg2-Jul-2026/AB-DB Macrolides - Erythromycin +1 Macrolides - Erythromycin +1 elec-potHospital Gasch, Adam; Malloci, Giuliano; Gervasoni, SilviaGaussian; 16; ES64L-G16RevA.03Single point Structure#B3LYP6-31G(D,P)-2483.3723548; Eh
thumbnail.jpeg2-Jul-2026/AB-DB Monobactams - Oximonam -1 Monobactams - Oximonam -1 elec-potHospital Gasch, Adam; Malloci, Giuliano; Gervasoni, SilviaGaussian; 16; ES64L-G16RevA.03Single point Structure#B3LYP6-31G(D,P)-1588.9332281; Eh
thumbnail.jpeg2-Jul-2026/AB-DB Carbapenems - Panipenem 0 Carbapenems - Panipenem 0 elec-potHospital Gasch, Adam; Malloci, Giuliano; Gervasoni, SilviaGaussian; 16; ES64L-G16RevA.03Single point Structure#B3LYP6-31G(D,P)-1447.5213785; Eh
Results 402921-402930 of 403438 (Search time: 0.208 seconds).