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Collection hits:

Collection Name
test
Gaussian-VASP-PDH-Pt-C3N4-Sulfur
test1

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	31-Jul-2026	6H_WcapOt_6H_Wcap_O_Wbelt_6H_Wbelt_O_Wbelt_quin	Puiggalí I Jou, Jordi; Solé-Daura, Albert; Carbo, Jordi	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D,P) GEN	-6583.18549739; Eh
	31-Jul-2026	6H_WcapOt_6H_Wcap_O_Wbelt_6H_Wbelt_O_Wbelt_trip	Puiggalí I Jou, Jordi; Solé-Daura, Albert; Carbo, Jordi	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D,P) GEN	-6583.19282611; Eh
	31-Jul-2026	P2W18O62_0e	Puiggalí I Jou, Jordi; Solé-Daura, Albert; Carbo, Jordi	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	-	-	-
	9-Sep-2026	1	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-482.28820737; eV
	9-Sep-2026	1	Pan, Jie	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-482.28820737; eV
	9-Sep-2026	/Pt-C3N4-S(C)-Gaussian-B3LYP Pt1-C3N4-S(C)-CHCH2CH3-C1	Pan, Jie	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G* GENECP*	-2766.91881665; Eh
	9-Sep-2026	/Pt-C3N4-Gaussian-B3LPY Pt1-C3N4-CH2CH2CH3-TS1	Pan, Jie	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	LANL2DZ 6-31G* GENECP*	-2408.14566735; Eh

Results 2871-2880 of 2966 (Search time: 0.001 seconds).