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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-2024	/Slabs/Islanding/CoNi(001) CoNi(001)-1-Ni	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-
	28-Aug-2024	c120cn2_2_ksalt_a_nrs	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D)	-5958.20513706; Eh
	28-Aug-2024	bmkSP_c60_nrs	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RBMK	6-311+G(D,P)	-2285.3017064; Eh
	28-Aug-2024	c120cn_2c	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D)	-4665.55167554; Eh
	28-Aug-2024	c120_a	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D)	-4572.52803492; Eh
	28-Aug-2024	c120_b	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D)	-4572.56078553; Eh
	28-Aug-2024	c120_c	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D)	-4572.59277571; Eh
	15-Oct-2024	mo84_0h	Garay Ruiz, Diego	AMS; 2021.101; r94406	Geometry optimization	BP86	-	-3863.527419; eV
	5-Mar-2024	/redCO2 Ag(111)	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-94.09098956; eV
	8-Jan-2025	/Heptane-cleavage/RuNi-c RuNi-c-C7	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-

Results 77761-77770 of 104126 (Search time: 0.051 seconds).