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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	22-Apr-2024	/CsSnBr3/tetragonal/PBE Optimization	Echeverria, Carlos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 29 2021 13:38:42) complex	Geometry optimization	DFT	-	-34.02482856; eV
	22-Apr-2024	/CsSnBr3/cubic/PBE SOC	Echeverria, Carlos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 29 2021 13:38:42) complex	Single point	DFT	-	-17.26785425; eV
	25-Jun-2024	/Intermediates/Ni/100 C3H7NO_3	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-313.38061194; eV
	25-Jun-2024	/Intermediates/Ni/100 C4H9NO_9	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-330.17063484; eV
	25-Jun-2024	/Intermediates/Ag/100 C4H10_1	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-196.81164874; eV
	25-Jun-2024	/Intermediates/Cd/0001 C2H2O2_3	Morandi, Santiago	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	DFT	-	-
	20-Jun-2025	/Mn_proj/Surfaces/112/phonopy/disp_152 disp_152	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-1043.62664876; eV
	20-Jun-2025	/Mn_proj/Surfaces/112/phonopy/disp_183 disp_183	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-1043.60744144; eV
	6-Sep-2024	/PBE/AsMo As01Mo00O04-0H	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-1.50251367; Eh
	25-Jun-2024	/Intermediates/Ni/100 C4H9NO_10	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-330.20621295; eV

Results 56931-56940 of 104126 (Search time: 0.033 seconds).