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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	geom7_w10_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-764.3521628; Eh
	16-Jan-2026	/FG_dataset/group2/ni/111 ni-4a11-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-331.79406085; eV
	28-Nov-2017	ss-PdNi-2215	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-275.72776435; eV
	28-Nov-2017	ss-PdNi-0111	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-254.32026458; eV
	19-Mar-2026	/AsMo As02Mo05O23-1H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-9.21340066; Eh
	21-Jun-2017	Os-2611	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	-	-	-566.34081153; eV
	21-Jun-2017	Cu-1212	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	-	-	-193.48482048; eV
	21-Jun-2017	Cu-1011	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	-	-	-187.21895727; eV
	21-Jun-2017	Cu-1112	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	-	-	-189.73696818; eV
	21-Jun-2017	Cu-2011	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	-	-	-195.64091016; eV

Results 18431-18440 of 103928 (Search time: 0.011 seconds).