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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	22-Apr-2024	/FASnI3/orthorhombic-2/PBEsol Optimization	Echeverria, Carlos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 29 2021 13:38:42) complex	Geometry optimization	DFT	-	-466.25116383; eV
	22-Apr-2024	/FASnI3/orthorhombic-1/PBEsol Optimization	Echeverria, Carlos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 29 2021 13:38:42) complex	Geometry optimization	DFT	-	-116.18667106; eV
	22-Apr-2024	/FASnI3/orthorhombic-1/PBEsol SOC	Echeverria, Carlos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 29 2021 13:38:42) complex	Single point	DFT	-	-117.08363952; eV
	26-Aug-2024	geom114_ae_A	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RBP86	6-31G	-6741.403085; Eh
	6-Sep-2024	/PBE/PMo P01Mo12O40-2H	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-16.21922240; Eh
	25-Jun-2024	/Intermediates/Ni/100 C4H11N_2	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-332.78336543; eV
	25-Jun-2024	/Intermediates/Ag/100 C8H6S_1	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-221.13673562; eV
	25-Jun-2024	/Intermediates/Ag/100 C8H7N	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-229.67669441; eV
	20-Jun-2025	/Mn_proj/Surfaces/112/phonopy/disp_076 disp_076	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-1043.60826893; eV
	20-Jun-2025	/Mn_proj/Surfaces/112/phonopy/disp_214 disp_214	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-1043.61525543; eV

Results 75701-75710 of 104126 (Search time: 0.047 seconds).