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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/group3S/ag/111 ag-24S1-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-162.35579208; eV
	16-Jan-2026	/BM_dataset/biomass/metal_surfaces ru-0000	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-725.44007950; eV
	22-Apr-2024	/FASnCl3/pseudo-cubic/PBEsol SOC	Echeverria, Carlos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 29 2021 13:38:42) complex	Single point	DFT	-	-61.32855247; eV
	19-Mar-2026	/Energy-profiles/FF-to-HF/FF-to-dl-HF-Ag H-2FF-Ag(111)	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-335.00860616; eV
	15-Jul-2024	/Geom_Opt_SI_Additional ³TS_s13_c1	Sharma, Akhilesh Kumar	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	UB3LYP	6-31G SDD GENECP*	-5045.21219541; Eh
	15-Jul-2024	/Geom_Opt_SI_Additional ³TS_s13_c2	Sharma, Akhilesh Kumar	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	UB3LYP	6-31G SDD GENECP*	-4812.71996199; Eh
	15-Jul-2024	/Geom_Opt_SI_Additional ³TS_s13	Sharma, Akhilesh Kumar	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	UB3LYP	6-31G SDD GENECP*	-5045.21623302; Eh
	15-Jul-2024	/Geom_Opt_SI_Additional ¹I_s3	Sharma, Akhilesh Kumar	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	6-31G SDD GENECP*	-4347.79496700; Eh
	26-Aug-2024	geom31_nox2_w11_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-1487.7805757; Eh
	6-Sep-2024	/PBE/AsMo As00Mo03O09-1H	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-3.50723432; Eh

Results 57121-57130 of 104126 (Search time: 0.038 seconds).