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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg2-Jul-2026/AB-DB Quinolones - Lomefloxacin 0 Quinolones - Lomefloxacin 0 elec-potHospital Gasch, Adam; Malloci, Giuliano; Gervasoni, SilviaGaussian; 16; ES64L-G16RevA.03Single point Structure#B3LYP6-31G(D,P)-1248.7504539; Eh
thumbnail.jpeg2-Jul-2026/AB-DB Phenicols - Tevenel 0 Phenicols - Tevenel 0 opt-freqHospital Gasch, Adam; Malloci, Giuliano; Gervasoni, SilviaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumB3LYP6-31G(D,P)-2231.77735130; Eh
thumbnail.jpeg2-Jul-2026/AB-DB Thiadiazoles - Halicin 0 Thiadiazoles - Halicin 0 opt-freqHospital Gasch, Adam; Malloci, Giuliano; Gervasoni, SilviaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumB3LYP6-31G(D,P)-1810.97491777; Eh
thumbnail.jpeg2-Jul-2026/AB-DB Dyes - Rhodamine-6G +1 Dyes - Rhodamine-6G +1 elec-potHospital Gasch, Adam; Malloci, Giuliano; Gervasoni, SilviaGaussian; 16; ES64L-G16RevA.03Single point Structure#B3LYP6-31G(D,P)-1420.7282875; Eh
thumbnail.jpeg2-Jul-2026/AB-DB Phenicols - Tevenel 0 Phenicols - Tevenel 0 elec-potHospital Gasch, Adam; Malloci, Giuliano; Gervasoni, SilviaGaussian; 16; ES64L-G16RevA.03Single point Structure#B3LYP6-31G(D,P)-2231.746406; Eh
thumbnail.jpeg2-Jul-2026/AB-DB Thiadiazoles - Halicin 0 Thiadiazoles - Halicin 0 elec-potHospital Gasch, Adam; Malloci, Giuliano; Gervasoni, SilviaGaussian; 16; ES64L-G16RevA.03Single point Structure#B3LYP6-31G(D,P)-1810.9563739; Eh
thumbnail.jpeg2-Jul-2026/AB-DB Lipo-glyco-peptides - Ramoplanin A2 +2 Lipo-glyco-peptides - Ramoplanin A2 +2 elec-potHospital Gasch, Adam; Malloci, Giuliano; Gervasoni, SilviaGaussian; 16; ES64L-G16RevA.03Single point Structure#B3LYP6-31G(D,P)-9247.5529223; Eh
thumbnail.jpeg2-Jul-2026/AB-DB Aminoglycosides - Paromomycin +4 Aminoglycosides - Paromomycin +4 opt-freqHospital Gasch, Adam; Malloci, Giuliano; Gervasoni, SilviaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumB3LYP6-31G(D,P)-2232.26830881; Eh
thumbnail.jpeg2-Jul-2026/AB-DB Aminoglycosides - Amikacin +4 Aminoglycosides - Amikacin +4 opt-freqHospital Gasch, Adam; Malloci, Giuliano; Gervasoni, SilviaGaussian; 16; ES64L-G16RevA.03Geometry optimization Minimum#B3LYP6-31G(D,P)-2117.76466870; Eh
thumbnail.jpeg2-Jul-2026/AB-DB Penicillins - Oxacillin -1 Penicillins - Oxacillin -1 opt-freqHospital Gasch, Adam; Malloci, Giuliano; Gervasoni, SilviaGaussian; 16; ES64L-G16RevA.03Geometry optimization Minimum#B3LYP6-31G(D,P)-1673.57667989; Eh
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