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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-Al2O3 Pt5-Al2O3-C3H6-TS_(π_adsorption)	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Improved Dimer Method	DFT	-	-1258.69022620; eV
	17-Jul-2025	/Pt5-Al2O3 Pt5-Al2O3-CH2+CHCH3_(π_adsorption)	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-1260.06713297; eV
	17-Jul-2025	/Pt5-Al2O3 Pt5-Al2O3-CH2+CHCH3_(σ_adsorption)	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-1258.15188346; eV
	17-Jul-2025	/Pt3 Naked_Pt3_b	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-8.46309717; eV
	17-Jul-2025	/Pt4 Naked_Pt4_d	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-13.05635326; eV
	17-Jul-2025	/Pt4 Naked_Pt4_b	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-13.09856434; eV
	17-Jul-2025	/Pt4 Naked_Pt4_a	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-13.19038000; eV
	17-Jul-2025	/Pt2-C3N4 Pt2-C3N4_b	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-481.37484123; eV
	17-Jul-2025	/Pt3-C3N4 Pt3-C3N4_b	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-487.08436309; eV
	17-Jul-2025	/Pt3-C3N4 Pt3-C3N4_c	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-486.89580514; eV

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