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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 Aminoglycosides - Dibekacin +4 Aminoglycosides - Dibekacin +4 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-1584.759277; Eh
	2-Jul-2026	/AB-DB Phenols - Triclosan 0 Phenols - Triclosan 0 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-1992.5215665; Eh
	2-Jul-2026	/AB-DB Anti-tuberculosis - Bedaquiline +1 Anti-tuberculosis - Bedaquiline +1 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	6-31G(D,P)	-4070.24863206; Eh
	2-Jul-2026	/AB-DB Anti-tuberculosis - Bedaquiline +1 Anti-tuberculosis - Bedaquiline +1 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-4070.1607783; Eh
	2-Jul-2026	/AB-DB Tetracyclines - Oxytetracycline 0 Tetracyclines - Oxytetracycline 0 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	6-31G(D,P)	-1639.35537505; Eh
	2-Jul-2026	/AB-DB Penicillins - Carindacillin -1 Penicillins - Carindacillin -1 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	6-31G(D,P)	-1965.07419573; Eh
	2-Jul-2026	/AB-DB Penicillins - Azidocillin -1 Penicillins - Azidocillin -1 opt-freq	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	B3LYP	6-31G(D,P)	-1592.29088408; Eh
	2-Jul-2026	/AB-DB Tetracyclines - Oxytetracycline 0 Tetracyclines - Oxytetracycline 0 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-1639.3033622; Eh
	2-Jul-2026	/AB-DB Penicillins - Carindacillin -1 Penicillins - Carindacillin -1 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-1964.9720853; Eh
	2-Jul-2026	/AB-DB Penicillins - Azidocillin -1 Penicillins - Azidocillin -1 elec-pot	Hospital Gasch, Adam; Malloci, Giuliano; Gervasoni, Silvia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	#B3LYP	6-31G(D,P)	-1592.1949611; Eh

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