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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-Gaussian-B3LPY C3N4	Pan, Jie	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G* GENECP*	-2169.82372764; Eh
	9-Sep-2026	/Pt-C3N4-Gaussian-PBE C3N4	Pan, Jie	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RPBEPBE	6-31G* GENECP*	-2167.49038956; Eh
	9-Sep-2026	/Pt-C3N4-S(C)-VASP-PBE Pt1-C3N4-S(C)-C3H8-C2	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-530.89367081; eV
	9-Sep-2026	/Pt-C3N4-S(C)-VASP-PBE Pt-C3N4-S(C)	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-473.40488727; eV
	9-Sep-2026	/Pt-C3N4-S(C)-Gaussian-B3LYP Pt1-C3N4-S(C)-CH2CH2CH3-TS2-1	Pan, Jie	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	LANL2DZ 6-31G* GENECP*	-2766.91168333; Eh
	9-Sep-2026	/Pt-C3N4-S(N)-Gaussian-UB3LYP Pt1-C3N4-S(N)-CH2CH2CH3-TS2	Pan, Jie	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	UB3LYP	LANL2DZ 6-31G* GENECP*	-2751.51820093; Eh
	9-Sep-2026	/Pt-C3N4-S(N)-Gaussian-UB3LYP Pt1-C3N4-S(N)-C3H8-C2	Pan, Jie	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G* GENECP*	-2751.54137983; Eh
	9-Sep-2026	/Pt-C3N4-S(N)-Gaussian-UB3LYP Pt1-C3N4-S(N)-C3H8-C1	Pan, Jie	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G* GENECP*	-2751.54142480; Eh
	9-Sep-2026	/Pt-C3N4-Gaussian-B3LPY Pt-C3N4-CH2CH2CH3-C1	Pan, Jie	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G* GENECP*	-2408.18416502; Eh
	9-Sep-2026	/Pt-C3N4-Gaussian-PBE Pt1-C3N4-C3H8-TS1	Pan, Jie	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RPBEPBE	LANL2DZ 6-31G* GENECP*	-2405.63931339; Eh

Results 2891-2900 of 2966 (Search time: 0.002 seconds).