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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	16-Jan-2026	/FG_dataset/group3N/cu/111 cu-4bN6-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-257.60236658; eV
	16-Jan-2026	/FG_dataset/aromatics/cu/111 cu-8a03-b	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-281.62634687; eV
	16-Jan-2026	/FG_dataset/aromatics/cu/111 cu-8a03-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-281.62600276; eV
	21-Jan-2025	OI_Click6a_ISOMERB	Aragay, Gemma	TURBOMOLE; 7.0	Geometry optimization	DFT	def-SV(P)	-6699.262524999; Eh
	23-Jul-2025	/Ti(0001)/CxHyO2-3/Formic-acid config_1	Van Hout, Thomas	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-392.56696846; eV
	23-Jul-2025	/Ti(0001)/Oximes/Formaldoxime config_1	Van Hout, Thomas	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-395.82045656; eV
	19-Mar-2026	/AsMoW As01Mo07W02O31-1H-iso-92450	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-12.54180263; Eh
	20-Feb-2024	/CsSnX3/CsSnBr3/Tetragonal PBEsol-SOC-HSE06	Echeverria, Carlos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:43:14) complex	Single point	DFT	-	-79.21859409; eV
	20-Feb-2024	/CsSnX3/CsSnCl3/Cubic PBEsol-SOC-HSE06	Echeverria, Carlos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:43:14) complex	Single point	DFT	-	-21.63684763; eV
	20-Feb-2024	/CsSnX3/CsSnI3/Orthorhombic PBE-HSE06	Echeverria, Carlos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:43:14) complex	Single point	DFT	-	-67.08101082; eV

Results 79141-79150 of 104126 (Search time: 0.047 seconds).