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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 - Sulfamoxole -1 Sulphonamides - Sulfamoxole -1 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-1214.5137366; Eh
	2-Jul-2026	/AB-DB Aminoglycosides - Amikacin +4 Aminoglycosides - Amikacin +4 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-2117.018127; Eh
	2-Jul-2026	/AB-DB Penicillins - Oxacillin -1 Penicillins - Oxacillin -1 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-1673.4827538; Eh
	2-Jul-2026	/AB-DB Lipo-glyco-peptides - Ramoplanin A2 +2 Lipo-glyco-peptides - Ramoplanin A2 +2 freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	xtb; 6.7.1; edcfbbe	Geometry optimization; Frequency calculation	GFN2-xTB	-	-562.666431504665; Eh
	2-Jul-2026	/AB-DB Lipo-glyco-peptides - Ramoplanin A2 +2 Lipo-glyco-peptides - Ramoplanin A2 +2 opt	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	xtb; 6.7.1; edcfbbe	Geometry optimization	GFN2-xTB	-	-562.972582324615; Eh
	2-Jul-2026	/AB-DB Nitroimidazole - Ornidazole 0 Nitroimidazole - Ornidazole 0 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-1122.8003551; Eh
	2-Jul-2026	/AB-DB Anti-tuberculosis - Pretomanid 0 Anti-tuberculosis - Pretomanid 0 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-1380.5003924; Eh
	2-Jul-2026	/AB-DB Rifamycins - Rifabutin +1 Rifamycins - Rifabutin +1 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	6-31G(D,P)	-2837.21466037; Eh
	2-Jul-2026	/AB-DB Rifamycins - Rifabutin +1 Rifamycins - Rifabutin +1 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-2837.1285282; Eh
	2-Jul-2026	/AB-DB Sulphonamides - Sulfametomidine -1 Sulphonamides - Sulfametomidine -1 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	6-31G(D,P)	-1308.08897885; Eh

Results 403341-403350 of 403353 (Search time: 0.202 seconds).