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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-CHCHCH3-TS2	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Improved Dimer Method	DFT	-	-526.56336199; eV
	12-Nov-2024	/Pt1-C3N4 Pt1-C3N4-CHCCH3-C2	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-527.00950033; eV
	12-Nov-2024	/Pt4-C3N4 Pt4-C3N4-CH3+CH2CH3	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-549.28869141; eV
	12-Nov-2024	/Pt4-C3N4 Pt4-C3N4-C3H8-TS	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-549.28869141; eV
	12-Nov-2024	/Pt1-C3N4 Pt1-C3N4-CCHCH3-C1	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-526.61819020; eV
	12-Nov-2024	/Pt3-Sn-C3N4 Pt3-Sn-C3N4-CHCCH3-C2_(H_migration)	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-541.86874985; eV
	12-Nov-2024	/Pt3-Sn-C3N4 Pt3-Sn-C3N4-CCHCH3-C1_(H_migration)	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-541.73603989; eV
	12-Nov-2024	/Pt3-Sn-C3N4 Pt3-Sn-C3N4-CHCCH3-C2	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-541.62351205; eV
	12-Nov-2024	/Pt1-C3N4 Pt1-C3N4-CHCHCH3-TS1	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Improved Dimer Method	DFT	-	-526.42984732; eV
	12-Nov-2024	/Pt1-C3N4 Pt1-C3N4-CH2CCH3-C2	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-528.46888337; eV

Results 2141-2150 of 2546 (Search time: 0.001 seconds).