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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
30-Apr-2019	/U_Nb/3_U/2iso 2iso	Petrus, Enric	ADF; 2016	Geometry optimization	DFT	TZP	-
30-Apr-2019	/U_Nb/3_U/3iso 3iso	Petrus, Enric	ADF; 2016	Geometry optimization	DFT	TZP	-
30-Apr-2019	/U_Nb/6_U 6_U	Petrus, Enric	ADF; 2016	Geometry optimization	DFT	TZP	-
30-Apr-2019	/U_Nb/5_U 5_U	Petrus, Enric	ADF; 2016	Geometry optimization	DFT	TZP	-
8-May-2017	Pd-3-25	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	-	-	-280.40844012; eV
8-May-2017	Pt-2-22	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	-	-	-325.14700670; eV
8-May-2017	Pd-4-33	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	-	-	-276.74457018; eV
23-Jul-2018	/trans2butene/Ni/111/1H C4H8	Navarro-Ruiz, Javier; Cornu, Damien	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	DFT	-	-303.84163647; eV
23-Jul-2018	/trans2butene/Ni/100/8H C4H8	Navarro-Ruiz, Javier; Cornu, Damien	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	DFT	-	-301.43272695; eV
23-Aug-2018	/ni4p3_ni5p4/ts_methyl_but_ol_P_P_site c2h4	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-934.01111120; eV

Results 9791-9800 of 103542 (Search time: 0.008 seconds).