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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 Polymyxin - Polymyxin B +5 Polymyxin - Polymyxin B +5 freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	xtb; 6.7.1; edcfbbe	Geometry optimization; Frequency calculation	GFN2-xTB	-	-269.770021045211; Eh
	2-Jul-2026	/AB-DB Polymyxin - SPR-741 +3 Polymyxin - SPR-741 +3 freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	xtb; 6.7.1; edcfbbe	Geometry optimization; Frequency calculation	GFN2-xTB	-	-222.708240612148; Eh
	2-Jul-2026	/AB-DB Polymyxin - Polymyxin B +5 Polymyxin - Polymyxin B +5 opt	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	xtb; 6.7.1; edcfbbe	Geometry optimization	GFN2-xTB	-	-270.796516998744; Eh
	2-Jul-2026	/AB-DB Polymyxin - SPR-741 +3 Polymyxin - SPR-741 +3 opt	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	xtb; 6.7.1; edcfbbe	Geometry optimization	GFN2-xTB	-	-223.162752555798; Eh
	2-Jul-2026	/AB-DB Penicillins - Cloxacillin -1 Penicillins - Cloxacillin -1 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	#B3LYP	6-31G(D,P)	-2133.16603433; Eh
	2-Jul-2026	/AB-DB Monobactams - Bal19764 -1 Monobactams - Bal19764 -1 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	#B3LYP	6-31G(D,P)	-2382.56343657; Eh
	2-Jul-2026	/AB-DB Macrolides - Clarithromycin +1 Macrolides - Clarithromycin +1 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	6-31G(D,P)	-2522.76192705; Eh
	2-Jul-2026	/AB-DB Nitrofurans - Nifurfoline 0 Nitrofurans - Nifurfoline 0 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	6-31G(D,P)	-1229.40652854; Eh
	2-Jul-2026	/AB-DB Oxacephem - Latamoxef -2 Oxacephem - Latamoxef -2 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	6-31G(D,P)	-2176.92742155; Eh
	2-Jul-2026	/AB-DB Monobactams - Bal19764 -1 Monobactams - Bal19764 -1 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-2382.4573536; Eh

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