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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 Oxacephem - Flomoxef -1 Oxacephem - Flomoxef -1 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	6-31G(D,P)	-2433.04620759; Eh
	2-Jul-2026	/AB-DB Penicillins - Nafcillin -1 Penicillins - Nafcillin -1 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	6-31G(D,P)	-1696.89091824; Eh
	2-Jul-2026	/AB-DB Nitrofurans - Nifurzide 0 Nitrofurans - Nifurzide 0 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	6-31G(D,P)	-1530.39133858; Eh
	2-Jul-2026	/AB-DB Macrolides - Roxithromycin +1 Macrolides - Roxithromycin +1 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-2846.3167876; Eh
	2-Jul-2026	/AB-DB Macrolides - Modithromycin +1 Macrolides - Modithromycin +1 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-2833.3994319; Eh
	2-Jul-2026	/AB-DB Oxacephem - Flomoxef -1 Oxacephem - Flomoxef -1 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-2432.9327407; Eh
	2-Jul-2026	/AB-DB Penicillins - Nafcillin -1 Penicillins - Nafcillin -1 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-1696.7949693; Eh
	2-Jul-2026	/AB-DB Nitrofurans - Nifurzide 0 Nitrofurans - Nifurzide 0 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-1530.3621725; Eh
	2-Jul-2026	/AB-DB DHFR inhibitors - Iclaprim-R 0 DHFR inhibitors - Iclaprim-R 0 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	6-31G(D,P)	-1181.94327351; Eh
	2-Jul-2026	/AB-DB DHFR inhibitors - Trimethoprim +1 DHFR inhibitors - Trimethoprim +1 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	6-31G(D,P)	-989.492546930; Eh

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