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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 - Cefprozil 0 Cephalosporins - Cefprozil 0 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-1635.809656; Eh
	2-Jul-2026	/AB-DB Cephalosporins - Cefovecin -1 Cephalosporins - Cefovecin -1 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	6-31G(D,P)	-2180.21960198; Eh
	2-Jul-2026	/AB-DB Cephalosporins - Ceftezole -1 Cephalosporins - Ceftezole -1 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	6-31G(D,P)	-2435.56339391; Eh
	2-Jul-2026	/AB-DB Macrolides - Fidaxomicin 0 Macrolides - Fidaxomicin 0 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	6-31G(D,P)	-4300.49174816; Eh
	2-Jul-2026	/AB-DB Cephalosporins - Cefovecin -1 Cephalosporins - Cefovecin -1 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-2180.1126479; Eh
	2-Jul-2026	/AB-DB Cephalosporins - Ceftezole -1 Cephalosporins - Ceftezole -1 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-2435.4618569; Eh
	2-Jul-2026	/AB-DB null null opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	6-31G(D,P)	-2670.28217907; Eh
	2-Jul-2026	/AB-DB null null elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-2670.2503148; Eh
	2-Jul-2026	/AB-DB null null freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	xtb; 6.7.1; edcfbbe	Geometry optimization; Frequency calculation	GFN2-xTB	-	-514.598614330873; Eh
	2-Jul-2026	/AB-DB null null opt	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	xtb; 6.7.1; edcfbbe	Geometry optimization	GFN2-xTB	-	-514.949303821717; Eh

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