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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	12-Nov-2024	/Pt1-C3N4 Pt1-C3N4-H2	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-486.08435724; eV
	12-Nov-2024	/Pt3-Sn-C3N4 Pt3-Sn-C3N4-CH2CH2CH3-TS2-1	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-549.83745442; eV
	12-Nov-2024	/Pt3-Sn-C3N4 Pt3-Sn-C3N4-CH2CH2CH3-TS1-1	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Frequencies	DFT	-	-548.37021530; eV
	12-Nov-2024	/Pt3-Sn-C3N4 Pt3-sn-C3N4-CHCH2CH3-C1	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-549.73943818; eV
	12-Nov-2024	/Pt4-C3N4 Pt4-C3N4-CH2CH2CH3-TS1-1	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-549.13158474; eV
	12-Nov-2024	/Pt4-C3N4 Pt4-C3N4-CH2CH2CH3-TS2-1	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-549.27832400; eV
	12-Nov-2024	/Pt1-C3N4 Pt1-C3N4-CH2CH2CH3-TS2	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Improved Dimer Method	DFT	-	-535.29243452; eV
	12-Nov-2024	/Pt4-C3N4 Pt4-C3N4-CHCH2CH3-C1	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-549.57703651; eV
	12-Nov-2024	/Pt1-C3N4 Pt1-C3N4-CH2CHCH3-C1	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-535.90730219; eV
	12-Nov-2024	/Pt3-Sn-C3N4 Pt3-Sn-C3N4-CH2CHCH3-C2_(H_migration_1)	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-550.75936252; eV

Results 2181-2190 of 2546 (Search time: 0.001 seconds).