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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	17-Jul-2025	/Pt2-Al2O3 Pt2-Al2O3-C3H6	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-1246.72981159; eV
	17-Jul-2025	/Pt2-Al2O3 Pt2-Al2O3-H2	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-1204.02219486; eV
	29-Oct-2025	/S2F/S2F_sp f2_1ts3oa	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-1318.1400598; Eh
	29-Oct-2025	/S2F/S2F_sp f2_1int4o	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-1318.205526; Eh
	17-Jul-2025	/Pt3-Al2O3 Pt3-Al2O3-C3H8-TS1-C1	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Improved Dimer Method	DFT	-	-1257.31443311; eV
	17-Jul-2025	/Pt3-Al2O3 Pt3-Al2O3-C3H8-TS1-C2	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Improved Dimer Method	DFT	-	-1257.33879257; eV
	17-Jul-2025	/Pt5-C3N4 Pt5-C3N4-CHCHCH3-TS2	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Improved Dimer Method	DFT	-	-546.67927439; eV
	17-Jul-2025	/Pt5-C3N4 Pt5-C3N4-CHCHCH3-TS1	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Improved Dimer Method	DFT	-	-546.25325215; eV
	17-Jul-2025	/Pt5-C3N4 Pt5-C3N4-CCHCH3-C1	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-546.39347223; eV
	17-Jul-2025	/Pt3-Al2O3 Pt3-Al2O3-C3H8-C1	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-1257.66315799; eV

Results 2291-2300 of 2835 (Search time: 0.002 seconds).