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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	29-Oct-2025	/reac_prod_actspec_cyc/sp fs7	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-2887.4957763; Eh
	17-Jul-2025	/Pt5-Al2O3 Pt5-Al2O3_a	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-1211.14614589; eV
	17-Jul-2025	/Pt5-Al2O3 Pt5-Al2O3_e	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-1209.78363592; eV
	17-Jul-2025	/Pt6-Al2O3 Pt6-Al2O3_c	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-1215.39396115; eV
	17-Jul-2025	/Pt6-Al2O3 Pt6-Al2O3_a	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-1215.69709961; eV
	17-Jul-2025	/Pt5-Al2O3 Pt5-Al2O3_c	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-1210.33280372; eV
	29-Oct-2025	/reac_prod_actspec_cyc/sp s2_anionic	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-796.6503554; Eh
	29-Oct-2025	/reac_prod_actspec_cyc/sp s2_radical	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	UwB97XD	GEN	-796.4006862; Eh
	29-Oct-2025	/reac_prod_actspec_cyc/sp s9_open	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-3584.2300548; Eh
	29-Oct-2025	/reac_prod_actspec_cyc/sp s3_open	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-1194.8919122; Eh

Results 2431-2440 of 2835 (Search time: 0.001 seconds).