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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 - Pefloxacin -1 Quinolones - Pefloxacin -1 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	#B3LYP	6-31G(D,P)	-1149.19003363; Eh
	2-Jul-2026	/AB-DB Quinolones - Pefloxacin 0 Quinolones - Pefloxacin 0 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	6-31G(D,P)	-1149.65143648; Eh
	2-Jul-2026	/AB-DB Quinolones - Temafloxacin 0 Quinolones - Temafloxacin 0 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-1500.4085861; Eh
	2-Jul-2026	/AB-DB Quinolones - Marbofloxacin -1 Quinolones - Marbofloxacin -1 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-1278.3949948; Eh
	2-Jul-2026	/AB-DB Quinolones - Pefloxacin -1 Quinolones - Pefloxacin -1 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-1149.0765979; Eh
	2-Jul-2026	/AB-DB Quinolones - Pefloxacin 0 Quinolones - Pefloxacin 0 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-1149.5175317; Eh
	2-Jul-2026	/AB-DB Beta lactamase inhibitors - Vaborbactam -1 Beta lactamase inhibitors - Vaborbactam -1 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	6-31G(D,P)	-1320.51739614; Eh
	2-Jul-2026	/AB-DB Tetracyclines - Rolitetracycline +1 Tetracyclines - Rolitetracycline +1 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	6-31G(D,P)	-1815.33509501; Eh
	2-Jul-2026	/AB-DB Sulphonamides - Sulfametrole -1 Sulphonamides - Sulfametrole -1 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	6-31G(D,P)	-1589.50565880; Eh
	2-Jul-2026	/AB-DB Tetracyclines - Lymecycline +1 Tetracyclines - Lymecycline +1 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	6-31G(D,P)	-2099.75664169; Eh

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