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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	m062xD3defSP_c120_c_nrs	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	-	-	-
	28-Aug-2024	m062xD3defSP_c60_nrs	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	-	-	-
	28-Aug-2024	c60cn_nasalt_dmf	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D)	-2790.05258292; Eh
	28-Aug-2024	c60cn_kcn9_nrs	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D)	-8521.84186307; Eh
	28-Aug-2024	c60cn_ksalt_nrs	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D)	-2979.10054737; Eh
	28-Aug-2024	c60cn_freeanion	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D)	-2379.25106701; Eh
	28-Aug-2024	c60cn_nasalt	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D)	-2541.51007038; Eh
	28-Aug-2024	c60cn_radical	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31G(D)	-2379.10121978; Eh
	2-Oct-2024	/Slabs/Islanding/CoNi(001) 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/Islanding/CoNi(001) CoNi(001)-1-Co	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-

Results 77751-77760 of 104126 (Search time: 0.048 seconds).