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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	26-Aug-2024	geom80_w10_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-764.3466041; Eh
	16-Jan-2026	/FG_dataset/group3N/cu/111 cu-4bN5-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-257.53514200; eV
	16-Jan-2026	/FG_dataset/aromatics/cu/111 cu-8a02-b	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-281.62175503; eV
	19-Mar-2026	/AsMoW As01Mo05W07O40-0H-iso-281840401	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-16.60775483; Eh
	19-Mar-2026	/AsMoW As01Mo03W02O19-1H-iso-48	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-7.74751969; Eh
	20-Jun-2025	/Mn_proj/Surfaces/112/phonopy/disp_008 disp_008	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-1043.61124846; eV
	20-Jun-2025	/Mn_proj/Surfaces/112/phonopy/disp_140 disp_140	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-1043.61596607; eV
	20-Feb-2024	/CsSnX3/CsSnI3/Tetragonal PBEsol-SOC-HSE06	Echeverria, Carlos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:43:14) complex	Single point	DFT	-	-36.02394252; eV
	20-Feb-2024	/CsSnX3/CsSnI3/Cubic PBE-SOC	Echeverria, Carlos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:43:14) complex	Single point	DFT	-	-14.55861378; eV
	20-Feb-2024	/MASnX3/MASnI3/Tetragonal PBEsol-SOC	Echeverria, Carlos	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 14:08:09) complex	N/A	DFT	-	-213.54870102; eV

Results 80301-80310 of 104124 (Search time: 0.047 seconds).