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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
8-May-2017	Ru-5-23	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Improved Dimer Method	-	-	-356.53140664; eV
23-Jul-2018	/trans2butene/Pt/111/9H C4H8	Navarro-Ruiz, Javier; Cornu, Damien	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	DFT	-	-362.92710922; eV
23-Jul-2018	/trans2butene/Pt/111/1H C4H8	Navarro-Ruiz, Javier; Cornu, Damien	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	DFT	-	-333.28898032; eV
2-Aug-2018	MDsnap_dimer1_720	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2222.93681012; eV
2-Aug-2018	MDsnap_dimer1_700	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2222.41797280; eV
2-Aug-2018	MDsnap_trimer2_740	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2223.76495580; eV
30-Apr-2019	/U_Nb/0_U 0_U	Petrus, Enric	ADF; 2016	Geometry optimization	DFT	TZP	-
30-Apr-2019	/U_Nb/1_U 1_U	Petrus, Enric	ADF; 2016	Geometry optimization	DFT	TZP	-
30-Apr-2019	/U_Nb/2_U/1iso 1iso	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

Results 21141-21150 of 104508 (Search time: 0.031 seconds).