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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
22-Jul-2018	/ExcitedState/5S_State 5S_State	Petrus, Enric	ADF; 2016	Geometry optimization	DFT	TZP	-
17-Oct-2017	/Adsorption/ni/7x4 G8	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-599.12168716; eV
17-Oct-2017	/Adsorption/ni/7x4 G7	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-592.76392200; eV
17-Oct-2017	/Adsorption/ni/7x4 A	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-698.10191784; eV
19-Apr-2018	TS10-11	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB97D	6-311++G**	-2993.89453899; Eh
6-May-2019	CP-2Pd-i32	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1116.84166690; eV
19-Apr-2018	26	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D	6-311++G**	-1229.34438947; Eh
8-May-2018	2_R	Fernández, Víctor	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	lanl2dz; 6-31+g(d)	-956.199443153; Eh
2-Aug-2018	MDsnap_trimer2_2520	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2223.05164595; eV
2-Aug-2018	MDsnap_trimer2_2500	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2224.34142308; eV

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