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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	8-Jun-2026	/Marcus_Theory/EnT/Landa_R S_O2_rw	Funes, Ignacio; Sampedro, Diego; Sanosa, Nil	Gaussian; 16; ES64L-G16RevC.02	Single point Structure	wB97xD	DEF2SVP	-150.1552952; Eh
	8-Jun-2026	/Marcus_Theory/EnT/Landa_P T_O2_rw	Funes, Ignacio; Sampedro, Diego; Sanosa, Nil	Gaussian; 16; ES64L-G16RevC.02	Single point Structure	wB97xD	DEF2SVP	-150.0930209; Eh
	8-Jun-2026	/Marcus_Theory/SET PC2_D	Funes, Ignacio; Sampedro, Diego; Sanosa, Nil	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	wB97xD	DEF2SVP	-1870.07218418; Eh
	8-Jun-2026	/Marcus_Theory/SET PC1_T	Funes, Ignacio; Sampedro, Diego; Sanosa, Nil	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	wB97xD	DEF2SVP	-1869.89560354; Eh
	8-Jun-2026	/Marcus_Theory/SET C1_S	Funes, Ignacio; Sampedro, Diego; Sanosa, Nil	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	wB97xD	DEF2SVP	-937.482755622; Eh
	8-Jun-2026	/Marcus_Theory/SET C2_D	Funes, Ignacio; Sampedro, Diego; Sanosa, Nil	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	wB97xD	DEF2SVP	-937.282619581; Eh
	8-Jun-2026	/Radical Abstractions/XAT/IRC IRC_reverse	Funes, Ignacio; Sampedro, Diego; Sanosa, Nil	Gaussian; 16; ES64L-G16RevC.02	Single point Structure	wB97xD; IRC	DEF2SVP	-3096.77137010; Eh
	27-Jun-2024	4PrOH	von Wolff, Niklas	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	RBP86	DEF2SVP DEF2SVP/W06	-386.054315349; Eh
	27-Jun-2024	6EG	von Wolff, Niklas	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	RBP86	DEF2SVP DEF2SVP/W06	-382.596859584; Eh
	27-Jun-2024	4EG	von Wolff, Niklas	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	RBP86	DEF2SVP DEF2SVP/W06	-457.804936216; Eh

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