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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
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
17-Oct-2017	/reactions/ni G1	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-585.14464938; 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
27-Oct-2017	/DFT/Methanol TS3_1	Bandeira, Nuno	ADF; 2016	TS	DFT	TZP; DZP	-23.68372069; Eh
17-Oct-2017	/reactions/ni G3+2H	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-599.64192766; eV
17-Oct-2017	/reactions/ni G2+2H	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-592.74162193; eV
17-Oct-2017	/reactions/ni G10	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-586.16912117; eV
17-Oct-2017	/reactions/ni G8	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-599.12168716; eV
28-Nov-2017	ol-RuCo-0011	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-404.19637572; eV

Results 19101-19110 of 104510 (Search time: 0.013 seconds).