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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Sep-2026	/Pt-C3N4-S(C)-VASP-PBE C3N4-S(C)	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-468.89893632; eV
	9-Sep-2026	/Pt-C3N4-VASP-PBE Pt1-C3N4-H2	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-485.72468102; eV
	9-Sep-2026	/Pt-C3N4-S(N)-Gaussian-UB3LYP Pt1-C3N4-S(N)-CH2CH2CH3-TS2-1	Pan, Jie	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	UB3LYP	LANL2DZ 6-31G* GENECP*	-2750.31623612; Eh
	9-Sep-2026	/Pt-C3N4-S(C)-Gaussian-B3LYP Pt1-C3N4-S(C)-CH2CHCH3-C1	Pan, Jie	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G* GENECP*	-2768.17226531; Eh
	9-Sep-2026	/Pt-C3N4-Gaussian-B3LPY Pt1-C3N4-CH2CH2CH3-TS1-1	Pan, Jie	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	LANL2DZ 6-31G* GENECP*	-2406.93882609; Eh
	9-Sep-2026	/Pt-C3N4-Gaussian-B3LPY Pt-C3N4-CH2CHCH3-C1	Pan, Jie	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G* GENECP*	-2408.18157158; Eh
	9-Sep-2026	/Pt-C3N4-Gaussian-B3LPY Pt-C3N4-CH2CH2CH3-C2	Pan, Jie	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G* GENECP*	-2408.17740474; Eh
	9-Sep-2026	/Pt-C3N4-S(C)-Gaussian-B3LYP Pt1-C3N4-S(C)	Pan, Jie	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G* GENECP*	-2648.99714103; Eh
	9-Sep-2026	/Pt-C3N4-Gaussian-PBE Pt-C3N4-C	Pan, Jie	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RPBEPBE	LANL2DZ 6-31G* GENECP*	-2286.62702403; Eh
	9-Sep-2026	/Pt-C3N4-S(N)-VASP-PBE Pt1-C3N4-S(N)-H2	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-482.28820737; eV

Results 2911-2920 of 2966 (Search time: 0.001 seconds).