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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 Penicillins - Metampicillin -1 Penicillins - Metampicillin -1 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	6-31G(D,P)	-1522.14325068; Eh
	2-Jul-2026	/AB-DB Sulphonamides - Sulfaperin -1 Sulphonamides - Sulfaperin -1 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	6-31G(D,P)	-1193.54310273; Eh
	2-Jul-2026	/AB-DB Penicillins - Metampicillin -1 Penicillins - Metampicillin -1 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-1522.0447134; Eh
	2-Jul-2026	/AB-DB Sulphonamides - Sulfaperin -1 Sulphonamides - Sulfaperin -1 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-1193.4414335; Eh
	2-Jul-2026	/AB-DB Macrolides - Fidaxomicin 0 Macrolides - Fidaxomicin 0 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-4300.4562312; Eh
	2-Jul-2026	/AB-DB Lipo-glyco-peptides - Oritavancin +2 Lipo-glyco-peptides - Oritavancin +2 freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	xtb; 6.7.1; edcfbbe	Geometry optimization; Frequency calculation	GFN2-xTB	-	-382.673815154269; Eh
	2-Jul-2026	/AB-DB Lipo-glyco-peptides - Oritavancin +2 Lipo-glyco-peptides - Oritavancin +2 opt	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	xtb; 6.7.1; edcfbbe	Geometry optimization	GFN2-xTB	-	-383.041800732604; Eh
	2-Jul-2026	/AB-DB Quinolones - Lomefloxacin 0 Quinolones - Lomefloxacin 0 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	6-31G(D,P)	-1248.88013661; Eh
	2-Jul-2026	/AB-DB Siderophores - Enterobactin -3 Siderophores - Enterobactin -3 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-3712.2901189; Eh
	2-Jul-2026	/AB-DB Dyes - Rhodamine-6G +1 Dyes - Rhodamine-6G +1 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	6-31G(D,P)	-1420.78365382; Eh

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