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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 Cephalosporins - Cefepime 0 Cephalosporins - Cefepime 0 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	#B3LYP	6-31G(D,P)	-2239.43568689; Eh
	2-Jul-2026	/AB-DB Aminoglycosides - Dibekacin +5 Aminoglycosides - Dibekacin +5 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	6-31G(D,P)	-1586.03360356; Eh
	2-Jul-2026	/AB-DB Anthracenediones - Pixantrone +2 Anthracenediones - Pixantrone +2 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-1084.1655676; Eh
	2-Jul-2026	/AB-DB Carbapenems - LK-157 -1 Carbapenems - LK-157 -1 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	6-31G(D,P)	-898.884612191; Eh
	2-Jul-2026	/AB-DB Cephalosporins - Cefepime 0 Cephalosporins - Cefepime 0 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-2239.3649386; Eh
	2-Jul-2026	/AB-DB Nitroimidazole - Ronidazole 0 Nitroimidazole - Ronidazole 0 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-753.2788931; Eh
	2-Jul-2026	/AB-DB Carbapenems - LK-157 -1 Carbapenems - LK-157 -1 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-898.7841294; Eh
	2-Jul-2026	/AB-DB Sulphonamides - Sulfamerazine -1 Sulphonamides - Sulfamerazine -1 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	6-31G(D,P)	-1193.54706578; Eh
	2-Jul-2026	/AB-DB Sulphonamides - Sulfadiazine -1 Sulphonamides - Sulfadiazine -1 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	6-31G(D,P)	-1154.22328354; Eh
	2-Jul-2026	/AB-DB Sulphonamides - Sulfathiazole 0 Sulphonamides - Sulfathiazole 0 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	6-31G(D,P)	-1459.41377167; Eh

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