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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	2-Oct-2024	/Slabs/Segregation/Ni-CoNi(001) Ni-CoNi(001)-1-Co	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-
	2-Oct-2024	/Slabs/Segregation/Ni-CoNi(001) Ni-CoNi(001)-3-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/Ni-CoNi(001) Ni-CoNi(001)-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/Segregation/Ni-CoNi(001) Ni-CoNi(001)-4-Co	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-
	28-Aug-2024	b3lypSP_c60_nrs	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(D,P)	-2286.7227694; Eh
	28-Aug-2024	b3lypSP_c120_c_nrs	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	-	6-311+G(D,P)	-4573.46250236; Eh
	28-Aug-2024	bmkSP_c120_c_nrs	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	-	6-311+G(D,P)	-4570.64801879; Eh
	15-Oct-2024	mo84_8h	Garay Ruiz, Diego	AMS; 2021.101; r94406	Geometry optimization	BP86	-	-3859.792654; eV
	8-Jan-2025	/Heptane-cleavage/RuNi-b RuNi-b-C4-C3allyl-TS	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Single point	DFT	-	-1525.28933173; eV
	16-Jan-2026	/FG_dataset/group3N/ag/111 ag-4bN6-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-211.33011396; eV

Results 80061-80070 of 104126 (Search time: 0.053 seconds).