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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 Nitrofurans - Nifuroxazide 0 Nitrofurans - Nifuroxazide 0 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	6-31G(D,P)	-1002.95376833; Eh
	2-Jul-2026	/AB-DB Cephalosporins - Ceftazidime -1 Cephalosporins - Ceftazidime -1 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-2502.4122726; Eh
	2-Jul-2026	/AB-DB Cephalosporins - Nitrocefin -1 Cephalosporins - Nitrocefin -1 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-2426.2974591; Eh
	2-Jul-2026	/AB-DB Cephalosporins - Cefotetan -2 Cephalosporins - Cefotetan -2 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-3234.6825316; Eh
	2-Jul-2026	/AB-DB Monobactams - Gloximonam 0 Monobactams - Gloximonam 0 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-1974.6348689; Eh
	2-Jul-2026	/AB-DB Anti-tuberculosis - Delamanid 0 Anti-tuberculosis - Delamanid 0 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	6-31G(D,P)	-1937.52007196; Eh
	2-Jul-2026	/AB-DB Anti-tuberculosis - Delamanid 0 Anti-tuberculosis - Delamanid 0 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-1937.4936159; Eh
	2-Jul-2026	/AB-DB Cephalosporins - Cefoselis 0 Cephalosporins - Cefoselis 0 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	6-31G(D,P)	-2422.94393565; Eh
	2-Jul-2026	/AB-DB Nitroimidazole - Secnidazole 0 Nitroimidazole - Secnidazole 0 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	6-31G(D,P)	-663.223690630; Eh
	2-Jul-2026	/AB-DB Pleuromutilins - BC-3205 +1 Pleuromutilins - BC-3205 +1 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-2134.9805021; Eh

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