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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-C3H8-C1	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-1253.42155368; eV
	17-Jul-2025	/Pt5 Pt5-CH2+CHCH3_(σ_adsorption)	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-66.93141743; eV
	17-Jul-2025	/Pt2-Al2O3 Pt2-Al2O3-C3H8-C2	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-1253.47328748; eV
	17-Jul-2025	/Pt5 Pt5-C3H8-TS	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Improved Dimer Method	DFT	-	-74.36857232; eV
	17-Jul-2025	/Pt6-Al2O3 Pt6-Al2O3-H2	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-1223.67925420; eV
	17-Jul-2025	/Pt5 Pt5-CH3+CH2CH3	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-75.62261751; eV
	17-Jul-2025	/Pt2-Al2O3 Pt2-Al2O3	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-1196.21129689; eV
	17-Jul-2025	/Pt2-Al2O3 Pt2-Al2O3-CH2CH2CH3-C1_(H_migration)	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-1255.21999972; eV
	17-Jul-2025	/Pt2-Al2O3 Pt2-Al2O3-CH2CH2CH3-C2_(H_migration)	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-1255.24204800; eV
	17-Jul-2025	/Pt5-C3N4 Pt5-C3N4-CH2CH2CH3-TS1-1	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Improved Dimer Method	DFT	-	-554.26916910; eV

Results 2011-2020 of 2579 (Search time: 0.001 seconds).