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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	26-Aug-2024	geom99_w11_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-840.7829772; Eh
	26-Aug-2024	geom99_w10_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-764.349525; Eh
	26-Aug-2024	geom99_w7_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-535.0283643; Eh
	16-Jan-2026	/FG_dataset/aromatics/pt/111 pt-8a03-b	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-393.91515776; eV
	19-Mar-2026	/AsTaW As01Ta03W06O31-2H-iso-25212	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-13.48949010; Eh
	19-Mar-2026	/AsTaW As01Ta04W07O39-1H-iso-2419276	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-17.27511649; Eh
	19-Mar-2026	/AsTaW As01Ta03W09O40-0H-iso-25200	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-17.44758590; Eh
	26-Aug-2024	geom96_nox2_w10_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-1411.3440347; Eh
	26-Aug-2024	geom96_nox2_w7_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-1182.0150272; Eh
	26-Aug-2024	geom96_nox_w10_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-1087.8386032; Eh

Results 80811-80820 of 104124 (Search time: 0.047 seconds).