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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
8-May-2017	Ru-6-01	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Improved Dimer Method	-	-	-352.77363112; eV
27-Oct-2017	/DFT/Pathway_2 TS2_1a	Bandeira, Nuno	ADF; 2016	TS	DFT	TZP; DZP	-46.63132693; Eh
17-Oct-2017	/reactions/ni ts_a04	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-697.03331448; eV
17-Oct-2017	/reactions/ni ts_a11	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-698.06955165; eV
17-Oct-2017	/reactions/ni is_b43	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-599.54584617; eV
17-Oct-2017	/reactions/ni is_b44	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-592.35796504; eV
17-Oct-2017	/reactions/ni ts_a17	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-598.63419291; eV
17-Oct-2017	/reactions/ni ts_a21	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-535.62348448; eV
27-Oct-2017	/DFT/Pathway_3 3_2_3_single_point	Bandeira, Nuno	ADF; 2016	Single point	DFT	TZP; DZP	-
27-Oct-2017	/DFT Starting_complex	Bandeira, Nuno	ADF; 2016	Geometry optimization	DFT	TZP; DZP	-23.30301570; Eh

Results 18981-18990 of 104510 (Search time: 0.011 seconds).