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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	19-Mar-2026	/AsMoW As01Mo03W08O39-2H-iso-241920	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-16.54551437; Eh
	26-Aug-2024	geom8_ee_opt_631Gd	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RBP86	6-31G(D)	-6616.35138978; Eh
	26-Aug-2024	geom8_ee_LLT_631Gd	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RBP86	6-31G(D)	-6616.2409836; Eh
	26-Aug-2024	geom8_ee_opt	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RBP86	6-31G	-6614.86633011; Eh
	26-Aug-2024	geom8_ee_HLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RBP86	CC-PVTZ	-6618.4715672; Eh
	26-Aug-2024	geom8_ee	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RBP86	6-31G	-6614.7096443; Eh
	16-Jan-2026	/FG_dataset/group3N/cu/111 cu-39N2-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-241.32483998; eV
	16-Jan-2026	/FG_dataset/group3N/cu/111 cu-39N3-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-240.92147353; eV
	16-Jan-2026	/FG_dataset/aromatics/cu/111 cu-5601-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-238.31035053; eV
	20-Jun-2025	/Mn_proj/Surfaces/112/phonopy/disp_141 disp_141	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-1043.60700812; eV

Results 80271-80280 of 104124 (Search time: 0.052 seconds).