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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg2-Jul-2026/AB-DB Macrolides - Clarithromycin +1 Macrolides - Clarithromycin +1 elec-potHospital Gasch, Adam; Malloci, Giuliano; Gervasoni, SilviaGaussian; 16; ES64L-G16RevA.03Single point Structure#B3LYP6-31G(D,P)-2522.6704147; Eh
thumbnail.jpeg2-Jul-2026/AB-DB Nitrofurans - Nifurfoline 0 Nitrofurans - Nifurfoline 0 elec-potHospital Gasch, Adam; Malloci, Giuliano; Gervasoni, SilviaGaussian; 16; ES64L-G16RevA.03Single point Structure#B3LYP6-31G(D,P)-1229.382432; Eh
thumbnail.jpeg2-Jul-2026/AB-DB Oxacephem - Latamoxef -2 Oxacephem - Latamoxef -2 elec-potHospital Gasch, Adam; Malloci, Giuliano; Gervasoni, SilviaGaussian; 16; ES64L-G16RevA.03Single point Structure#B3LYP6-31G(D,P)-2176.669021; Eh
thumbnail.jpeg2-Jul-2026/AB-DB Macrolides - Descladinose azithromycin +2 Macrolides - Descladinose azithromycin +2 opt-freqHospital Gasch, Adam; Malloci, Giuliano; Gervasoni, SilviaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumB3LYP6-31G(D,P)-1965.63349756; Eh
thumbnail.jpeg2-Jul-2026/AB-DB Macrolides - Descladinose azithromycin +2 Macrolides - Descladinose azithromycin +2 elec-potHospital Gasch, Adam; Malloci, Giuliano; Gervasoni, SilviaGaussian; 16; ES64L-G16RevA.03Single point Structure#B3LYP6-31G(D,P)-1965.4292711; Eh
thumbnail.jpeg2-Jul-2026/AB-DB Aminoglycosides - Netilmicin +5 Aminoglycosides - Netilmicin +5 opt-freqHospital Gasch, Adam; Malloci, Giuliano; Gervasoni, SilviaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumB3LYP6-31G(D,P)-1627.52403317; Eh
thumbnail.jpeg2-Jul-2026/AB-DB Aminoglycosides - Dibekacin +4 Aminoglycosides - Dibekacin +4 opt-freqHospital Gasch, Adam; Malloci, Giuliano; Gervasoni, SilviaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumB3LYP6-31G(D,P)-1585.59228655; Eh
thumbnail.jpeg2-Jul-2026/AB-DB Aminoglycosides - Netilmicin +5 Aminoglycosides - Netilmicin +5 elec-potHospital Gasch, Adam; Malloci, Giuliano; Gervasoni, SilviaGaussian; 16; ES64L-G16RevA.03Single point Structure#B3LYP6-31G(D,P)-1626.3293701; Eh
thumbnail.jpeg2-Jul-2026/AB-DB Phenols - Triclosan 0 Phenols - Triclosan 0 opt-freqHospital Gasch, Adam; Malloci, Giuliano; Gervasoni, SilviaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumB3LYP6-31G(D,P)-1992.53211711; Eh
thumbnail.jpeg2-Jul-2026/AB-DB Macrolides - Troleandomycin +1 Macrolides - Troleandomycin +1 elec-potHospital Gasch, Adam; Malloci, Giuliano; Gervasoni, SilviaGaussian; 16; ES64L-G16RevA.03Single point Structure#B3LYP6-31G(D,P)-2786.2375328; Eh
Results 403081-403090 of 403438 (Search time: 0.248 seconds).