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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 s3h	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-1195.3803426; Eh
	29-Oct-2025	/reac_prod_actspec_cyc/sp s5	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-1991.058724; Eh
	29-Oct-2025	/reac_prod_actspec_cyc/sp s6	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-2389.2936256; Eh
	29-Oct-2025	/reac_prod_actspec_cyc/sp s7	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-2787.5107174; Eh
	17-Jul-2025	/Pt3-Al2O3 Pt3-Al2O3_b	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-1199.72147067; eV
	17-Jul-2025	/Pt3-Al2O3 Pt3-Al2O3_c	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-1198.76343124; eV
	17-Jul-2025	/Pt2-Al2O3 Pt2-Al2O3_b	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-1195.13962507; eV
	17-Jul-2025	/Pt6-C3N4 Pt6-C3N4_c	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-500.60135374; eV
	29-Oct-2025	/reac_prod_actspec_cyc/sp s2h	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-797.1565458; Eh
	29-Oct-2025	/reac_prod_actspec_cyc/sp s4h	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-1593.6024004; Eh

Results 2411-2420 of 2835 (Search time: 0.001 seconds).