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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg2-Jul-2026/AB-DB Aminoglycosides - Spectinomycin +2 Aminoglycosides - Spectinomycin +2 elec-potHospital Gasch, Adam; Malloci, Giuliano; Gervasoni, SilviaGaussian; 16; ES64L-G16RevA.03Single point Structure#B3LYP6-31G(D,P)-1184.6607849; Eh
thumbnail.jpeg2-Jul-2026/AB-DB Cephalosporins - Ceftizoxime -1 Cephalosporins - Ceftizoxime -1 elec-potHospital Gasch, Adam; Malloci, Giuliano; Gervasoni, SilviaGaussian; 16; ES64L-G16RevA.03Single point Structure#B3LYP6-31G(D,P)-1948.842208; Eh
thumbnail.jpeg2-Jul-2026/AB-DB Aminoglycosides - Isepamicin +4 Aminoglycosides - Isepamicin +4 elec-potHospital Gasch, Adam; Malloci, Giuliano; Gervasoni, SilviaGaussian; 16; ES64L-G16RevA.03Single point Structure#B3LYP6-31G(D,P)-2041.7794262; Eh
thumbnail.jpeg2-Jul-2026/AB-DB Anthracyclines - Daunorubicin +1 Anthracyclines - Daunorubicin +1 elec-potHospital Gasch, Adam; Malloci, Giuliano; Gervasoni, SilviaGaussian; 16; ES64L-G16RevA.03Single point Structure#B3LYP6-31G(D,P)-1853.7667828; Eh
thumbnail.jpeg2-Jul-2026/AB-DB Aminoglycosides - Micronomicin +4 Aminoglycosides - Micronomicin +4 opt-freqHospital Gasch, Adam; Malloci, Giuliano; Gervasoni, SilviaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumB3LYP6-31G(D,P)-1589.00427007; Eh
thumbnail.jpeg2-Jul-2026/AB-DB Cephalosporins - Cefroxadine 0 Cephalosporins - Cefroxadine 0 opt-freqHospital Gasch, Adam; Malloci, Giuliano; Gervasoni, SilviaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumB3LYP6-31G(D,P)-1559.67389409; Eh
thumbnail.jpeg2-Jul-2026/AB-DB Bicyclomycins - Bicozamycin 0 Bicyclomycins - Bicozamycin 0 opt-freqHospital Gasch, Adam; Malloci, Giuliano; Gervasoni, SilviaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumB3LYP6-31G(D,P)-1104.20473863; Eh
thumbnail.jpeg2-Jul-2026/AB-DB Aminoglycosides - Micronomicin +4 Aminoglycosides - Micronomicin +4 elec-potHospital Gasch, Adam; Malloci, Giuliano; Gervasoni, SilviaGaussian; 16; ES64L-G16RevA.03Single point Structure#B3LYP6-31G(D,P)-1588.242877; Eh
thumbnail.jpeg2-Jul-2026/AB-DB Macrolides - Oleandomycin +1 Macrolides - Oleandomycin +1 opt-freqHospital Gasch, Adam; Malloci, Giuliano; Gervasoni, SilviaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumB3LYP6-31G(D,P)-2328.37816842; Eh
thumbnail.jpeg2-Jul-2026/AB-DB Cephalosporins - Cefroxadine 0 Cephalosporins - Cefroxadine 0 elec-potHospital Gasch, Adam; Malloci, Giuliano; Gervasoni, SilviaGaussian; 16; ES64L-G16RevA.03Single point Structure#B3LYP6-31G(D,P)-1559.5557469; Eh
Results 403261-403270 of 403353 (Search time: 0.259 seconds).