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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
17-Oct-2017	/reactions/ni fs_b13	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-698.46689955; eV
17-Oct-2017	/reactions/ni fs_b11	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-698.94670197; eV
17-Oct-2017	/reactions/ni fs_b16	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-595.76857675; eV
17-Oct-2017	/reactions/ni fs_b12	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-698.00694201; eV
27-Oct-2017	/DFT/Methanol TS3_1	Bandeira, Nuno	ADF; 2016	TS	DFT	TZP; DZP	-23.68372069; Eh
28-Nov-2017	ol-RhZn-0111	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-279.86380870; eV
3-Nov-2017	Pd-atom_TS3	Fako, Edvin	vasp; 5.4.4; 30Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Single point	-	-	-211.65617058; eV
3-Nov-2017	Pd-atom_TS4	Fako, Edvin	vasp; 5.4.4; 29Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Single point	-	-	-146.63695072; eV
17-Oct-2017	/reactions/ni fs_b14	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-697.46408010; eV
17-Oct-2017	/reactions/ni G1+2H	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-593.00553861; eV

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