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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-C3N4 Pt2-C3N4-C3H8-C1	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-539.21945421; eV
	17-Jul-2025	/Pt2-C3N4 Pt2-C3N4-C3H8-C2	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-539.25432644; eV
	17-Jul-2025	/Pt5-Al2O3 Pt5-Al2O3-H2	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-1217.70107724; eV
	17-Jul-2025	/Pt2-C3N4 Pt2-C3N4	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-481.91986742; eV
	17-Jul-2025	/Pt2-C3N4 Pt2-C3N4-CH2CHCH3-C1_(H_migration)	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-541.31498740; eV
	17-Jul-2025	/Pt2-C3N4 Pt2-C3N4-CH2CH2CH3-C1_(H_migration)	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-540.49468234; eV
	17-Jul-2025	/Pt2-C3N4 Pt2-C3N4-CH2CH2CH3-C2_(H_migration)	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-540.62659298; eV
	17-Jul-2025	/Pt2-C3N4 Pt2-CH2CH2CH3-TS2-C1	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Improved Dimer Method	DFT	-	-540.21557693; eV
	17-Jul-2025	/Pt2-C3N4 Pt2-CH2CH2CH3-TS2-C2	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Improved Dimer Method	DFT	-	-540.25078874; eV
	17-Jul-2025	/Pt3 Pt3-CH2CHCH3-C1_(H_migration)	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-68.34483438; eV

Results 1851-1860 of 2579 (Search time: 0.001 seconds).