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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	26-Aug-2024	geom53_nox_w9_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-1011.4073017; Eh
	16-Jan-2026	/FG_dataset/amidines/pt/111 pt-4aZk-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-373.14790354; eV
	16-Jan-2026	/FG_dataset/amidines/pt/111 pt-4aZl-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-373.26062099; eV
	16-Jan-2026	/FG_dataset/group3S/cu/111 cu-36S2-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-225.86007611; eV
	16-Jan-2026	/FG_dataset/group3S/cu/111 cu-36S1-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-225.76244561; eV
	26-Aug-2024	geom15_nox2_w12_nodisp_HLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-311G(D,P)	-1564.7394115; Eh
	26-Aug-2024	geom26_nox2_w7_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-1182.0163954; Eh
	26-Aug-2024	geom0_w12_nodisp_HLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-311G(D,P)	-917.6454025; Eh
	26-Aug-2024	geom53_nox_w4_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-629.2000862; Eh
	6-Sep-2024	/M06L/Ta H4O2	Buils, Jordi	ADF; 2019	Single point	M06-L == Not Default ==	TZP	-

Results 72691-72700 of 104157 (Search time: 0.054 seconds).