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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 Quinolones - Halquinol 0 Quinolones - Halquinol 0 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	6-31G(D,P)	-936.760868134; Eh
	2-Jul-2026	/AB-DB Dyes - Proflavine 0 Dyes - Proflavine 0 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	6-31G(D,P)	-666.321430772; Eh
	2-Jul-2026	/AB-DB Dyes - Proflavine 0 Dyes - Proflavine 0 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-666.3054307; Eh
	2-Jul-2026	/AB-DB Anti-tuberculosis - Cycloserine 0 Anti-tuberculosis - Cycloserine 0 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	6-31G(D,P)	-377.815456358; Eh
	2-Jul-2026	/AB-DB Anti-tuberculosis - Cycloserine 0 Anti-tuberculosis - Cycloserine 0 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-377.7714647; Eh
	2-Jul-2026	/AB-DB Penicillins - Temocillin -2 Penicillins - Temocillin -2 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	#B3LYP	6-31G(D,P)	-2052.08588016; Eh
	2-Jul-2026	/AB-DB Monobactams - Carumonam -2 Monobactams - Carumonam -2 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	#B3LYP	6-31G(D,P)	-2341.86811127; Eh
	2-Jul-2026	/AB-DB Penicillins - Hetacillin -1 Penicillins - Hetacillin -1 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	6-31G(D,P)	-1600.79603766; Eh
	2-Jul-2026	/AB-DB Penicillins - Temocillin -2 Penicillins - Temocillin -2 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-2051.8442838; Eh
	2-Jul-2026	/AB-DB Penicillins - Hetacillin -1 Penicillins - Hetacillin -1 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-1600.6882264; Eh

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