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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	21-Jun-2019	/OO_O/1_oxyls/1iso 1iso	Petrus, Enric	ADF; 2016	Geometry optimization	PBE	TZP	-
	28-Sep-2021	/cation-accumulation Au(111)-3sqrt3x3sqrt3-Cs-Ref-2-t-1941-fs	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Single point	DFT	-	-1395.84496963; eV
	6-May-2019	CP-3Pd-i15	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1088.88246899; eV
	11-Feb-2022	HNSi_s_v1	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D,P) GEN	-1476.00649053; Eh
	28-Sep-2022	/FG_dataset/aromatics2/ni/111 ni-97N2-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-368.77649214; eV
	10-Feb-2020	COOH_on_Au_of_PbOdAu3p_111	Chuong Nguyën, Huu	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:36) complex	Geometry optimization	DFT	-	-164.50954821; eV
	10-Feb-2020	CO_on_Au_of_PbOdAu3p_111	Chuong Nguyën, Huu	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:36) complex	Geometry optimization	DFT	-	-153.45586043; eV
	21-Jun-2019	/OO_O/3_oxyls/2iso 2iso	Petrus, Enric	ADF; 2016	Geometry optimization	PBE	TZP	-
	21-Jun-2019	/OO_O/2_oxyls/2iso 2iso	Petrus, Enric	ADF; 2016	Geometry optimization	PBE	TZP	-
	21-Jun-2019	/U_Nb/1_U 1_U	Petrus, Enric	ADF; 2016	Geometry optimization	BP86	TZP	-

Results 451-460 of 98563 (Search time: 0.004 seconds).