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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	6-Sep-2024	/PBE/Mo Mo36O128-34H	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-
	18-Jun-2024	/Transition_states/Co/0001 2113-1112+1001	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Improved Dimer Method	DFT	-	-
	6-Sep-2024	/PBE/Mo Mo18O65-18H	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-
	23-Jul-2024	/Ni_211 Ni-H2O	González Acosta, José Manuel	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-647.96459525; eV
	23-Jul-2024	/Ni_211 Ni-HCOO	González Acosta, José Manuel	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-660.87239958; eV
	26-Aug-2024	geom15_ae_A	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RBP86	6-31G	-6741.4254023; Eh
	26-Aug-2024	geom26_aa_A	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RBP86	6-31G	-6868.1276888; Eh
	26-Aug-2024	geom159_w7_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-535.020237; Eh
	16-Jan-2026	/FG_dataset/group3S/cu/111 cu-4aS1-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-249.74906026; eV
	16-Jan-2026	/FG_dataset/group3S/cu/111 cu-48S2-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-242.42793436; eV

Results 76151-76160 of 104126 (Search time: 0.05 seconds).