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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 Cyclic-polypeptides - Bacitracin 0 Cyclic-polypeptides - Bacitracin 0 opt	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	xtb; 6.7.1; edcfbbe	Geometry optimization	GFN2-xTB	-	-312.369410192774; Eh
	2-Jul-2026	/AB-DB Cephalosporins - Cefteram pivoxil 0 Cephalosporins - Cefteram pivoxil 0 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-2670.2503148; Eh
	2-Jul-2026	/AB-DB Cephalosporins - Cephradine 0 Cephalosporins - Cephradine 0 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	6-31G(D,P)	-1484.46377325; Eh
	2-Jul-2026	/AB-DB Cephalosporins - Cefetamet -1 Cephalosporins - Cefetamet -1 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	6-31G(D,P)	-1988.27328407; Eh
	2-Jul-2026	/AB-DB Anthracyclines - Epirubicin +1 Anthracyclines - Epirubicin +1 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	6-31G(D,P)	-1929.04088094; Eh
	2-Jul-2026	/AB-DB Carbapenems - Faropenem -1 Carbapenems - Faropenem -1 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	#B3LYP	6-31G(D,P)	-1294.89143596; Eh
	2-Jul-2026	/AB-DB Cephalosporins - Cefetamet -1 Cephalosporins - Cefetamet -1 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-1988.162103; Eh
	2-Jul-2026	/AB-DB Cephalosporins - Cephradine 0 Cephalosporins - Cephradine 0 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-1484.348634; Eh
	2-Jul-2026	/AB-DB Anthracyclines - Epirubicin +1 Anthracyclines - Epirubicin +1 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-1928.9201478; Eh
	2-Jul-2026	/AB-DB Carbapenems - Faropenem -1 Carbapenems - Faropenem -1 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-1294.7926992; Eh

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