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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	12-Nov-2024	/Pt4-C3N4 Pt4-C3N4-CCHCH3-C1	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-541.17935477; eV
	12-Nov-2024	/Pt4-C3N4 Pt4-C3N4-CHCCH3-C2	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-541.44352931; eV
	12-Nov-2024	/Pt1-C3N4 Pt1-C3N4-CHCHCH3-C1	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-528.24103073; eV
	12-Nov-2024	/Pt3-Sn-C3N4 Pt3-Sn-C3N4-CHCHCH3-TS1	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Improved Dimer Method	DFT	-	-541.35462149; eV
	12-Nov-2024	/Pt3-Sn-C3N4 Pt3-Sn-C3N4-C3H6-TS2	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Improved Dimer Method	DFT	-	-540.59966842; eV
	12-Nov-2024	/Pt4-C3N4 Pt4-C3N4-CHCHCH3-C1_(H_migration)	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-542.00590927; eV
	12-Nov-2024	/Pt4-C3N4 Pt4-C3N4-CHCHCH3-C2_(H_migration)	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-542.00812672; eV
	12-Nov-2024	/Pt3-Sn-C3N4 Pt3-Sn-C3N4-CCHCH3-C1	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-541.53182351; eV
	12-Nov-2024	/Pt4-C3N4 Pt4-C3N4-CHCHCH3-TS2	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Improved Dimer Method	DFT	-	-541.07907143; eV
	12-Nov-2024	/Pt4-C3N4 Pt4-C3N4-CHCHCH3-TS1	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Improved Dimer Method	DFT	-	-540.98403703; eV

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