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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	2-Jul-2026	/AB-DB Lipo-glyco-peptides - Bahlimycin +1 Lipo-glyco-peptides - Bahlimycin +1 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-5777.9338312; Eh
	2-Jul-2026	/AB-DB Sulphonamides - Sulfapyridine -1 Sulphonamides - Sulfapyridine -1 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	6-31G(D,P)	-1138.17825979; Eh
	2-Jul-2026	/AB-DB Sulphonamides - Sulfapyridine -1 Sulphonamides - Sulfapyridine -1 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-1138.0799871; Eh
	2-Jul-2026	/AB-DB Quinolones - Finafloxacin 0 Quinolones - Finafloxacin 0 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	6-31G(D,P)	-1393.25827454; Eh
	2-Jul-2026	/AB-DB Sulphonamides - Sulfacetamide -1 Sulphonamides - Sulfacetamide -1 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-1043.6421017; Eh
	2-Jul-2026	/AB-DB Rifamycins - Rifaximin 0 Rifamycins - Rifaximin 0 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	6-31G(D,P)	-2661.09450987; Eh
	2-Jul-2026	/AB-DB Quinolones - Finafloxacin 0 Quinolones - Finafloxacin 0 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-1393.1227408; Eh
	2-Jul-2026	/AB-DB Lipo-glyco-peptides - Bahlimycin +1 Lipo-glyco-peptides - Bahlimycin +1 freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	xtb; 6.7.1; edcfbbe	Geometry optimization; Frequency calculation	GFN2-xTB	-	-311.842420259546; Eh
	2-Jul-2026	/AB-DB Lipo-glyco-peptides - Bahlimycin +1 Lipo-glyco-peptides - Bahlimycin +1 opt	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	xtb; 6.7.1; edcfbbe	Geometry optimization	GFN2-xTB	-	-312.100692660474; Eh
	2-Jul-2026	/AB-DB Quinolones - Oxolinic_acid -1 Quinolones - Oxolinic_acid -1 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	6-31G(D,P)	-932.430506028; Eh

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