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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_nox_w8_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-934.9632519; Eh
	26-Aug-2024	geom80_w11_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-840.7827588; Eh
	26-Aug-2024	geom80_w6_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-458.5774669; Eh
	16-Jan-2026	/FG_dataset/group3N/cu/111 cu-49Na-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-249.58939022; eV
	23-Jul-2025	/Ti(0001)/CxHyO2-3/Carbonic-acid config_1	Van Hout, Thomas	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-400.33311829; eV
	19-Mar-2026	/AsMoW As01Mo07W05O40-2H-iso-219542640	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-16.35494272; Eh
	19-Mar-2026	/AsMoW As01Mo07W04O39-0H-iso-16128288	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-16.27497608; Eh
	19-Mar-2026	/AsMoW As01Mo06W03O31-1H-iso-122649	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-12.59805637; Eh
	19-Mar-2026	/AsMoW As02Mo01W04O23-0H-iso-18	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-9.46108294; Eh
	20-Feb-2024	/FASnX3/FASnI3/Orthorhombic_Imm2 PBEsol-SOC-HSE06	Echeverria, Carlos	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 14:08:09) complex	N/A	DFT	-	-543.08007108; eV

Results 80881-80890 of 104124 (Search time: 0.048 seconds).