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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(N)-Gaussian-UB3LYP Pt1-C3N4-S(N)-CH2CH2CH3-TS1	Pan, Jie	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	UB3LYP	LANL2DZ 6-31G* GENECP*	-2751.51854160; Eh
	9-Sep-2026	/Pt-C3N4-S(N)-Gaussian-UB3LYP Pt1-C3N4-S(N)-CH2CHCH3-C1	Pan, Jie	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G* GENECP*	-2751.54343871; Eh
	9-Sep-2026	/Pt-C3N4-S(C)-Gaussian-B3LYP Pt1-C3N4-S(C)-C3H6	Pan, Jie	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G* GENECP*	-2766.96989031; Eh
	9-Sep-2026	/Pt-C3N4-Gaussian-PBE Pt1-C3N4-CH2CHCH3-C2	Pan, Jie	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RPBEPBE	LANL2DZ 6-31G* GENECP*	-2405.65186455; Eh
	9-Sep-2026	/Pt-C3N4-S(N)-Gaussian-UB3LYP Pt1-C3N4-S(N)-H2	Pan, Jie	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G* GENECP*	-2633.60320511; Eh
	9-Sep-2026	/Pt-C3N4-S(C)-VASP-PBE Pt1-C3N4-S(C)-C3H6	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-524.01684781; eV
	9-Sep-2026	/Pt-C3N4-VASP-PBE Pt1-C3N4-C3H8-C2	Pan, Jie	vasp; 6.3.2; 27Jun22 (build Oct 21 2022 12:58:47) complex	Single point	DFT	-	-536.70303715; eV
	9-Sep-2026	/Pt-C3N4-S(C)-Gaussian-B3LYP Pt1-C3N4-S(C)-CH2CH2CH3-TS2	Pan, Jie	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	LANL2DZ 6-31G* GENECP*	-2768.11343022; Eh
	9-Sep-2026	/Pt-C3N4-S(N)-Gaussian-UB3LYP Pt1-C3N4-S(N)-CH2CH2CH3-C1	Pan, Jie	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G* GENECP*	-2751.56564351; Eh
	9-Sep-2026	/Pt-C3N4-Gaussian-PBE Pt1-C3N4-CH2CH2CH3-TS2	Pan, Jie	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RPBEPBE	LANL2DZ 6-31G* GENECP*	-2405.62572596; Eh

Results 2951-2960 of 2966 (Search time: 0.001 seconds).