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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	2-Oct-2023	/MnWO MnWO_pbe	Benzidi, Hind	vasp; 6.3.0; 20Jan22 (build Feb 22 2023 08:30:39) complex	N/A	DFT	-	-814.90666069; eV
	2-Oct-2023	/Co3O4 Co3O4-bulk	Benzidi, Hind	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:31:30) complex	N/A	DFT	-	-618.61680253; eV
	2-Oct-2023	/CuWO CuWO4	Benzidi, Hind	vasp; 6.3.0; 20Jan22 (build Feb 22 2023 08:30:39) complex	N/A	DFT	-	-695.26854902; eV
	26-Feb-2024	ch3nh3-co-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-209.627400535; Eh
	6-Sep-2024	/BP86/Nb Nb01O04-3H	Buils, Jordi	ADF; 2019	Single point	BP86	TZP	-
	30-Oct-2023	/Single_Point II_c16_SP	Sharma, Akhilesh Kumar	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	CC-PVTZ GENECP	-1124.5749251; Eh
	16-Feb-2023	/M_S_din6_as_c2_35/Cu_S_din6_as_c2_35 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-602.19805929; eV
	16-Feb-2023	/M_S_din6_as_c2_35/Fe_S_din6_as_c2_35 rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-605.98294269; eV
	16-Feb-2023	/M_S_din6_as_c2_35/Cu_S_din6_as_c2_35 rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-601.82570886; eV
	3-Feb-2023	/Cu-Pb_surfaces Au100_CO3	Ibáñez-Alé, Enric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-369.93784825; eV

Results 27721-27730 of 103542 (Search time: 0.016 seconds).