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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg2-Jul-2026/AB-DB Bicyclomycins - Bicozamycin 0 Bicyclomycins - Bicozamycin 0 elec-potHospital Gasch, Adam; Malloci, Giuliano; Gervasoni, SilviaGaussian; 16; ES64L-G16RevA.03Single point Structure#B3LYP6-31G(D,P)-1104.1862118; Eh
thumbnail.jpeg2-Jul-2026/AB-DB Ionophores - Laidlomycin -1 Ionophores - Laidlomycin -1 opt-freqHospital Gasch, Adam; Malloci, Giuliano; Gervasoni, SilviaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumB3LYP6-31G(D,P)-2349.63923207; Eh
thumbnail.jpeg2-Jul-2026/AB-DB Ionophores - Laidlomycin -1 Ionophores - Laidlomycin -1 elec-potHospital Gasch, Adam; Malloci, Giuliano; Gervasoni, SilviaGaussian; 16; ES64L-G16RevA.03Single point Structure#B3LYP6-31G(D,P)-2349.5449031; Eh
thumbnail.jpeg2-Jul-2026/AB-DB Cephalosporins - Cefamandole_nafate -1 Cephalosporins - Cefamandole_nafate -1 opt-freqHospital Gasch, Adam; Malloci, Giuliano; Gervasoni, SilviaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumB3LYP6-31G(D,P)-2310.62131087; Eh
thumbnail.jpeg2-Jul-2026/AB-DB Cephalosporins - Cefamandole_nafate -1 Cephalosporins - Cefamandole_nafate -1 elec-potHospital Gasch, Adam; Malloci, Giuliano; Gervasoni, SilviaGaussian; 16; ES64L-G16RevA.03Single point Structure#B3LYP6-31G(D,P)-2310.5182062; Eh
thumbnail.jpeg2-Jul-2026/AB-DB Cephalosporins - Cefoperazone -1 Cephalosporins - Cefoperazone -1 opt-freqHospital Gasch, Adam; Malloci, Giuliano; Gervasoni, SilviaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumB3LYP6-31G(D,P)-2859.45877193; Eh
thumbnail.jpeg2-Jul-2026/AB-DB Cephalosporins - Ceforanide -1 Cephalosporins - Ceforanide -1 opt-freqHospital Gasch, Adam; Malloci, Giuliano; Gervasoni, SilviaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumB3LYP6-31G(D,P)-2405.29138394; Eh
thumbnail.jpeg2-Jul-2026/AB-DB Cephalosporins - Cefonicid -2 Cephalosporins - Cefonicid -2 opt-freqHospital Gasch, Adam; Malloci, Giuliano; Gervasoni, SilviaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumB3LYP6-31G(D,P)-2820.64222503; Eh
thumbnail.jpeg2-Jul-2026/AB-DB Cephalosporins - Cefoperazone -1 Cephalosporins - Cefoperazone -1 elec-potHospital Gasch, Adam; Malloci, Giuliano; Gervasoni, SilviaGaussian; 16; ES64L-G16RevA.03Single point Structure#B3LYP6-31G(D,P)-2859.3398527; Eh
thumbnail.jpeg2-Jul-2026/AB-DB Cephalosporins - Ceforanide -1 Cephalosporins - Ceforanide -1 elec-potHospital Gasch, Adam; Malloci, Giuliano; Gervasoni, SilviaGaussian; 16; ES64L-G16RevA.03Single point Structure#B3LYP6-31G(D,P)-2405.0570389; Eh
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