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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	17-Jul-2025	/Pt5-C3N4 Pt5-C3N4-CHCHCH3-TS2	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Improved Dimer Method	DFT	-	-546.67927439; eV
	17-Jul-2025	/Pt5-C3N4 Pt5-C3N4-CHCHCH3-TS1	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Improved Dimer Method	DFT	-	-546.25325215; eV
	17-Jul-2025	/Pt5-C3N4 Pt5-C3N4-CCHCH3-C1	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-546.39347223; eV
	17-Jul-2025	/Pt3-Al2O3 Pt3-Al2O3-C3H8-C1	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-1257.66315799; eV
	17-Jul-2025	/Pt3-Al2O3 Pt3-Al2O3-C3H8-C2	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-1257.83078382; eV
	29-Oct-2025	/S2F/SF2_opt f2_1ts4ob	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D,P) GEN	-1317.85637768; Eh
	29-Oct-2025	/S2F/S2F_sp f2_1int3oa	Villares, Mario	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	GEN	-1318.1790033; Eh
	17-Jul-2025	/Pt3-Al2O3 Pt3-Al2O3-CH2CH2CH3-C1_(H_migration)	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-1258.63950436; eV
	17-Jul-2025	/Pt5-C3N4 Pt5-C3N4-CCHCH3-C1_(H_migration)	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-546.71775869; eV
	17-Jul-2025	/Pt5-C3N4 Pt5-C3N4-CCHCH3-C2_(H_migration)	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-547.14236943; eV

Results 2231-2240 of 2835 (Search time: 0.001 seconds).