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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	30-Jun-2023	Pd-3xN6-pristine-4xN6-8.72_21	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1962.26810257; eV
	30-Jun-2023	Pd-3xN6-pristine-4xN6-8.18_19	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1962.22633466; eV
	30-Jun-2023	Pd-4xN6-Ni-4xN6-4.43_04	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1963.16807492; eV
	30-Jun-2023	Pd-3xN6-pristine-4xN6-8.37_20	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1962.24129340; eV
	30-Jun-2023	Pd-4xN6-Ni-4xN6-4.92_05	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1963.28551421; eV
	30-Jun-2023	Pd-4xN6-Ni-4xN6-4.43_03	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1963.41854717; eV
	30-Jun-2023	Pd-4xN6-Ni-4xN6-4.26_02	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1963.32809642; eV
	30-Jun-2023	Pd-4xN6-Ni-4xN6-4.26_01	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1961.20153312; eV
	6-Apr-2022	/pKas HEH+dot	Limburg, Bart	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UPBEPBE	6-31+G(D,P) GEN	-861.373201218; Eh
	6-Apr-2022	/deprotonated/opt/Single_Points C_E_deprotonated_SP	Limburg, Bart	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	CC-PVTZ AUG-CC-PVTZ GENECP	-3100.6237296; Eh

Results 23451-23460 of 101944 (Search time: 0.014 seconds).