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Collection hits:

Collection Name
AFM_coupling_enhancement_awakening_latent_diradicals

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	20-Apr-2026	/Radical_Abstractions/XAT/IRC IRC_forward	Funes, Ignacio	Gaussian; 16; ES64L-G16RevC.02	Single point Structure	-	DEF2SVP	-3096.78378705; Eh
	20-Apr-2026	/Radical_Abstractions/XAT/IRC IRC_reverse	Funes, Ignacio	Gaussian; 16; ES64L-G16RevC.02	Single point Structure	-	DEF2SVP	-3096.77137010; Eh
	20-Apr-2026	/L16/PTM/staggered Triplet	Jutglar Lozano, Kílian	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	UPBE1PBE	DEF2TZVP	-7471.1031985; Eh
	20-Apr-2026	/L13/PTM/eclipsed Triplet	Jutglar Lozano, Kílian	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	UPBE1PBE	DEF2TZVP	-7535.2103648; Eh
	20-Apr-2026	/L14/PTM/staggered Singlet	Jutglar Lozano, Kílian	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	UPBE1PBE	DEF2TZVP	-8156.60876129; Eh
	20-Apr-2026	/L11/PTM/staggered Triplet	Jutglar Lozano, Kílian	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	UPBE1PBE	DEF2TZVP	-8220.7535046; Eh
	20-Apr-2026	/L3/PTM/staggered Singlet	Jutglar Lozano, Kílian	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	UPBE1PBE	DEF2TZVP	-7339.64915954; Eh
	20-Apr-2026	/L10/PTM/eclipsed Triplet	Jutglar Lozano, Kílian	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	UPBE1PBE	DEF2TZVP	-7845.9311739; Eh
	20-Apr-2026	/L6/PTM/staggered Triplet	Jutglar Lozano, Kílian	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	UPBE1PBE	DEF2TZVP	-8084.3684574; Eh

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