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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 - Sulfamerazine -1 Sulphonamides - Sulfamerazine -1 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-1193.4452765; Eh
	2-Jul-2026	/AB-DB Quinolones - Norfloxacin 0 Quinolones - Norfloxacin 0 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	#B3LYP	6-31G(D,P)	-1110.34001143; Eh
	2-Jul-2026	/AB-DB Sulphonamides - Sulfathiazole 0 Sulphonamides - Sulfathiazole 0 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-1459.3925045; Eh
	2-Jul-2026	/AB-DB Sulphonamides - Sulfadiazine -1 Sulphonamides - Sulfadiazine -1 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-1154.1207041; Eh
	2-Jul-2026	/AB-DB Quinolones - Norfloxacin 0 Quinolones - Norfloxacin 0 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-1110.2008561; Eh
	2-Jul-2026	/AB-DB Lipo-glyco-peptides - A47934 -1 Lipo-glyco-peptides - A47934 -1 opt	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	xtb; 6.7.1; edcfbbe	Geometry optimization	GFN2-xTB	-	-269.559344611817; Eh
	2-Jul-2026	/AB-DB Cyclic-polypeptides - Enramycin A +2 Cyclic-polypeptides - Enramycin A +2 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-8877.0248485; Eh
	2-Jul-2026	/AB-DB Aminoglycosides - Arbekacin +5 Aminoglycosides - Arbekacin +5 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	6-31G(D,P)	-1947.91896274; Eh
	2-Jul-2026	/AB-DB Pleuromutilins - Tiamulin +1 Pleuromutilins - Tiamulin +1 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	6-31G(D,P)	-1849.61962848; Eh
	2-Jul-2026	/AB-DB Aminoglycosides - Arbekacin +5 Aminoglycosides - Arbekacin +5 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-1946.7494694; Eh

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