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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	19-Mar-2026	/AsMoW As01Mo05W04O31-2H-iso-161313	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-12.60693474; Eh
	20-Jun-2025	/Mn_proj/Surfaces/112/phonopy/disp_056 disp_056	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-1043.61385692; eV
	28-Aug-2024	c60cn_kcn2_nrs	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D)	-3671.93331529; Eh
	28-Aug-2024	c60cn_kcn3_nrs	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D)	-4364.76943974; Eh
	28-Aug-2024	c60cn_freeanion_nrs	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D)	-2379.24007231; Eh
	28-Aug-2024	c60cn_kcn4_nrs	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D)	-5057.61972946; Eh
	2-Oct-2024	/Slabs/Segregation/CoNi(001) CoNi(001)-4-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(001) CoNi(001)-4-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	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-Co	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-

Results 78331-78340 of 104126 (Search time: 0.051 seconds).