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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 Sulphonamides - Sulfacetamide -1 Sulphonamides - Sulfacetamide -1 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	6-31G(D,P)	-1043.74628046; Eh
	2-Jul-2026	/AB-DB Quinolones - Norfloxacin -1 Quinolones - Norfloxacin -1 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	6-31G(D,P)	-1109.87847918; Eh
	2-Jul-2026	/AB-DB Intercalating agents - Ethidium +1 Intercalating agents - Ethidium +1 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-976.4080105; Eh
	2-Jul-2026	/AB-DB Quinolones - Danofloxacin 0 Quinolones - Danofloxacin 0 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	6-31G(D,P)	-1225.81435868; Eh
	2-Jul-2026	/AB-DB Quinolones - Norfloxacin -1 Quinolones - Norfloxacin -1 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-1109.7641278; Eh
	2-Jul-2026	/AB-DB Quinolones - Danofloxacin 0 Quinolones - Danofloxacin 0 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-1225.681378; Eh
	2-Jul-2026	/AB-DB Cephalosporins - Ceftazidime -1 Cephalosporins - Ceftazidime -1 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	#B3LYP	6-31G(D,P)	-2502.56884770; Eh
	2-Jul-2026	/AB-DB Cephalosporins - Nitrocefin -1 Cephalosporins - Nitrocefin -1 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	#B3LYP	6-31G(D,P)	-2426.39641090; Eh
	2-Jul-2026	/AB-DB Cephalosporins - Cefotetan -2 Cephalosporins - Cefotetan -2 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	6-31G(D,P)	-3234.91510123; Eh
	2-Jul-2026	/AB-DB Monobactams - Gloximonam 0 Monobactams - Gloximonam 0 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	6-31G(D,P)	-1974.66450850; Eh

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