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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 Carbapenems - Ritipenem -1 Carbapenems - Ritipenem -1 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-1346.7788033; Eh
	2-Jul-2026	/AB-DB Macrolides - Rokitamycin +1 Macrolides - Rokitamycin +1 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-2825.5610435; Eh
	2-Jul-2026	/AB-DB Penicillins - Penamecillin 0 Penicillins - Penamecillin 0 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	6-31G(D,P)	-1696.38425087; Eh
	2-Jul-2026	/AB-DB Riminofenazines - Clofazimine 0 Riminofenazines - Clofazimine 0 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-2181.5661077; Eh
	2-Jul-2026	/AB-DB Quinolones - Ofloxacin -1 Quinolones - Ofloxacin -1 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	6-31G(D,P)	-1262.50895420; Eh
	2-Jul-2026	/AB-DB Penicillins - Penamecillin 0 Penicillins - Penamecillin 0 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-1696.3617808; Eh
	2-Jul-2026	/AB-DB Ionophores - Ionomycin -1 Ionophores - Ionomycin -1 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	6-31G(D,P)	-2282.35967903; Eh
	2-Jul-2026	/AB-DB Macrolides - Tylosin +1 Macrolides - Tylosin +1 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	6-31G(D,P)	-3133.22452335; Eh
	2-Jul-2026	/AB-DB Quinolones - Ofloxacin -1 Quinolones - Ofloxacin -1 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-1262.3968506; Eh
	2-Jul-2026	/AB-DB Ionophores - Ionomycin -1 Ionophores - Ionomycin -1 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-2282.257455; Eh

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