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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)-Gaussian-B3LYP Pt1-C3N4-S(C)-C3H8-C2	Pan, Jie	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G* GENECP*	-2768.17414490; Eh
	9-Sep-2026	/Pt-C3N4-Gaussian-B3LPY Pt-C3N4-CHCHCH3-C1	Pan, Jie	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G* GENECP*	-2406.95919104; Eh
	9-Sep-2026	/Pt-C3N4-Gaussian-B3LPY Pt-C3N4-C3H8-C1	Pan, Jie	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G* GENECP*	-2408.16454884; Eh
	9-Sep-2026	/Pt-C3N4-Gaussian-B3LPY Pt1-C3N4-C3H6	Pan, Jie	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G* GENECP*	-2406.97956121; Eh
	9-Sep-2026	/Pt-C3N4-Gaussian-PBE Pt1-C3N4-C3H6	Pan, Jie	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RPBEPBE	LANL2DZ 6-31G* GENECP*	-2404.46757698; Eh
	9-Sep-2026	/Pt-C3N4-Gaussian-PBE Pt1-C3N4-H2	Pan, Jie	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RPBEPBE	LANL2DZ 6-31G* GENECP*	-2287.87730642; Eh
	9-Sep-2026	/Pt-C3N4-VASP-PBE Pt1-C3N4-C3H8-C1	Pan, Jie	vasp; 6.3.2; 27Jun22 (build Oct 21 2022 12:58:47) complex	Single point	DFT	-	-536.76099002; eV
	9-Sep-2026	/Pt-C3N4-VASP-PBE Pt1-C3N4-A	Pan, Jie	vasp; 6.3.2; 27Jun22 (build Oct 21 2022 12:58:47) complex	Single point	DFT	-	-479.10204007; eV
	9-Sep-2026	/Pt-C3N4-S(C)-Gaussian-B3LYP Pt1-C3N4-S(C)-CH2CH2CH3-TS1	Pan, Jie	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	LANL2DZ 6-31G* GENECP*	-2768.11872971; Eh
	9-Sep-2026	/Pt-C3N4-S(N)-Gaussian-UB3LYP Pt1-C3N4-S(N)-CHCH2CH3-C1	Pan, Jie	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G* GENECP*	-2750.33038655; Eh

Results 2941-2950 of 2966 (Search time: 0.001 seconds).