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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 Penicillins - Carbenicillin -2 Penicillins - Carbenicillin -2 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-1616.5670091; Eh
	2-Jul-2026	/AB-DB Monobactams - Pirazmonam -2 Monobactams - Pirazmonam -2 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-3098.1707881; Eh
	2-Jul-2026	/AB-DB Nitrofurans - Furazolidone 0 Nitrofurans - Furazolidone 0 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-849.29093; Eh
	2-Jul-2026	/AB-DB Sulphonamides - Phthalylsulfacetamide -2 Sulphonamides - Phthalylsulfacetamide -2 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	6-31G(D,P)	-1576.24626236; Eh
	2-Jul-2026	/AB-DB Dhfr-inhibitors - Ormetoprim 0 Dhfr-inhibitors - Ormetoprim 0 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	6-31G(D,P)	-913.834904990; Eh
	2-Jul-2026	/AB-DB Sulphonamides - Phthalylsulfacetamide -2 Sulphonamides - Phthalylsulfacetamide -2 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-1576.003866; Eh
	2-Jul-2026	/AB-DB Dhfr-inhibitors - Ormetoprim 0 Dhfr-inhibitors - Ormetoprim 0 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-913.8193669; Eh
	2-Jul-2026	/AB-DB Quinolones - Pradofloxacin 0 Quinolones - Pradofloxacin 0 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	6-31G(D,P)	-1357.37531618; Eh
	2-Jul-2026	/AB-DB Nitrofurans - Furaltadone +1 Nitrofurans - Furaltadone +1 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	6-31G(D,P)	-1175.68434088; Eh
	2-Jul-2026	/AB-DB Quinolones - Pradofloxacin 0 Quinolones - Pradofloxacin 0 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-1357.2471922; Eh

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