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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/opt ProdS	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-1217.96547608; Eh
	29-Oct-2025	/reac_prod_actspec_cyc/sp 4	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-1218.2262849; Eh
	29-Oct-2025	/reac_prod_actspec_cyc/sp 2	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-421.7266411; Eh
	29-Oct-2025	/reac_prod_actspec_cyc/sp S8	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-3185.7411691; Eh
	17-Jul-2025	/Pt5-C3N4 Pt5-C3N4_d	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-496.54549253; eV
	17-Jul-2025	/Pt5-C3N4 Pt5-C3N4_b	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-496.92090071; eV
	17-Jul-2025	/Pt6-C3N4 Pt6-C3N4_a	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-501.16459799; eV
	17-Jul-2025	/Pt5-C3N4 Pt5-C3N4_e	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-496.32163451; eV
	17-Jul-2025	/Pt5-C3N4 Pt5-C3N4_c	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-496.73877957; eV
	29-Oct-2025	/reac_prod_actspec_cyc/sp s9h	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-3584.6898756; Eh

Results 2401-2410 of 2835 (Search time: 0.001 seconds).