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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-Aug-2024	kcn_6an_nrs	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	-	6-31G(D)	-4249.95304664; Eh
	28-Aug-2024	m062xD3defLLTSP_c60_nrs	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	-	-	-2283.87635474; Eh
	28-Aug-2024	m062xD3defLLTSP_c120_c_nrs	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	-	-	-
	2-Oct-2024	/Slabs/Islanding/CoNi(111) CoNi(111)-2-Co	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-
	2-Oct-2024	/Slabs/Islanding/CoNi(111) CoNi(111)-1-Ni	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-
	2-Oct-2024	/Slabs/Islanding/CoNi(111) CoNi(111)-2-Ni	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-
	2-Oct-2024	/Slabs/Segregation/CoNi(111) CoNi(111)-2-Ni-CO	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-
	2-Oct-2024	/Slabs/Segregation/CoNi(111) CoNi(111)-3-Co-CO	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-
	2-Oct-2024	/Slabs/Segregation/CoNi(111) CoNi(111)-1-Co-CO	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-
	2-Oct-2024	/Slabs/Segregation/CoNi(111) CoNi(111)-1-Ni-CO	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-

Results 77161-77170 of 104126 (Search time: 0.046 seconds).