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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	17-Jul-2025	/Pt5-C3N4 Pt5-C3N4-CHCHCH3-C1	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-547.14656191; eV
	17-Jul-2025	/Pt2-Al2O3 Pt2-Al2O3-CH2CHCH3-C2	Pan, Jie	vasp; 6.3.2; 27Jun22 (build Oct 21 2022 12:58:47) complex	Single point	DFT	-	-1256.03331526; eV
	17-Jul-2025	/Pt3-Al2O3 Pt3-Al2O3	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-1200.30676732; eV
	29-Oct-2025	/S2F/S2F_sp f2_1ts4oa	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-1318.1730932; Eh
	29-Oct-2025	/S2F/S2F_sp f2_1ts4ob	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-1318.134126; Eh
	29-Oct-2025	/S2F/S2F_sp f2_1int1o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-1318.129422; Eh
	29-Oct-2025	/S2F/S2F_sp f2_1ts1o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-1318.1244944; Eh
	29-Oct-2025	/S2F/S2F_sp f2_1ts1n	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-1318.1178077; Eh
	17-Jul-2025	/Pt5-C3N4 Pt5-C3N4-CHCHCH3-C2_(H_migration)	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-547.10370059; eV
	17-Jul-2025	/Pt5-C3N4 Pt5-C3N4-CHCHCH3-C1_(H_migration)	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-546.69942085; eV

Results 2281-2290 of 2835 (Search time: 0.001 seconds).