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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	26-Aug-2024	geom15_nox_w5_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-705.6481689; Eh
	26-Aug-2024	geom0_w9_HLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-311G(D,P)	-688.2534937; Eh
	26-Aug-2024	geom26_w6_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-458.5889312; Eh
	16-Jan-2026	/FG_dataset/amidines/pt/111 pt-4aZf-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-374.04890309; eV
	16-Jan-2026	/FG_dataset/amidines/pt/111 pt-4aZg-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-373.79007889; eV
	16-Jan-2026	/FG_dataset/group3N/ag/111 ag-15N1-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-161.63348258; eV
	19-Mar-2026	/Mo Mo09O37-19H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-
	19-Mar-2026	/Mo Mo07O23-0H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-
	26-Aug-2024	geom26_partial_diimine_w4_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-2646.174502; Eh
	26-Aug-2024	geom54_LLT_nox2_w5	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-1029.1358874; Eh

Results 74371-74380 of 104126 (Search time: 0.046 seconds).