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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 Anti-tuberculosis - Tiocarlide 0 Anti-tuberculosis - Tiocarlide 0 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	6-31G(D,P)	-1553.94079908; Eh
	2-Jul-2026	/AB-DB Anti-tuberculosis - Tiocarlide 0 Anti-tuberculosis - Tiocarlide 0 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-1553.9212637; Eh
	2-Jul-2026	/AB-DB Macrolides - Troleandomycin +1 Macrolides - Troleandomycin +1 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	6-31G(D,P)	-2786.32832728; Eh
	2-Jul-2026	/AB-DB Penicillins - Propicillin -1 Penicillins - Propicillin -1 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	6-31G(D,P)	-1582.55722661; Eh
	2-Jul-2026	/AB-DB Penicillins - Propicillin -1 Penicillins - Propicillin -1 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-1582.4619948; Eh
	2-Jul-2026	/AB-DB Quinolones - Halquinol 0 Quinolones - Halquinol 0 opt-freq	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 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

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