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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 - Sulfamethazine -1 Sulphonamides - Sulfamethazine -1 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	6-31G(D,P)	-1232.87133840; Eh
	2-Jul-2026	/AB-DB Penicillins - Ticarcillin -2 Penicillins - Ticarcillin -2 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	#B3LYP	6-31G(D,P)	-1937.56433675; Eh
	2-Jul-2026	/AB-DB Quinolones - Sarafloxacin 0 Quinolones - Sarafloxacin 0 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	6-31G(D,P)	-1361.99364767; Eh
	2-Jul-2026	/AB-DB Quinolones - Ciprofloxacin 0 Quinolones - Ciprofloxacin 0 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	#B3LYP	6-31G(D,P)	-1148.40873209; Eh
	2-Jul-2026	/AB-DB Penicillins - Ticarcillin -2 Penicillins - Ticarcillin -2 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-1937.3230241; Eh
	2-Jul-2026	/AB-DB Quinolones - Sarafloxacin 0 Quinolones - Sarafloxacin 0 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-1361.8562737; Eh
	2-Jul-2026	/AB-DB Quinolones - Dx-619 0 Quinolones - Dx-619 0 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	6-31G(D,P)	-1379.61508162; Eh
	2-Jul-2026	/AB-DB Quinolones - Ciprofloxacin 0 Quinolones - Ciprofloxacin 0 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-1148.2701753; Eh
	2-Jul-2026	/AB-DB Quinolones - Dx-619 0 Quinolones - Dx-619 0 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-1379.459119; Eh
	2-Jul-2026	/AB-DB Anti-tuberculosis - Para-aminosalicylic acid -1 Anti-tuberculosis - Para-aminosalicylic acid -1 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	6-31G(D,P)	-550.935127626; Eh

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