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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
28-Nov-2017	ss-RhAg-0111	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-282.51306998; eV
28-Nov-2017	ss-RhAu-0000	García Muelas, Rodrigo	vasp; 5.3.5; 31Mar14 (build Jun 1 2014 07:54:15) complex	Geometry optimization	-	-	-277.47252075; eV
6-Aug-2020	/freq/intermediates/Cu/CHF hcp	Pablo-García, Sergio	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-150.03080957; eV
28-May-2019	/M4O14_3H_5iso M4O14_3H_5iso	Petrus, Enric	ADF; 2016	Single point	DFT	TZP	-
28-May-2019	/M4O14_3H_4iso M4O14_3H_4iso	Petrus, Enric	ADF; 2016	Single point	DFT	TZP	-
28-May-2019	/M4O14_3H_3iso M4O14_3H_3iso	Petrus, Enric	ADF; 2016	Single point	DFT	TZP	-
28-Nov-2017	ss-PtPd-2215	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-306.10881416; eV
28-Nov-2017	ss-CuPt-2215	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-231.77967903; eV
28-Nov-2017	ss-PtPd-0111	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-283.32643417; eV
28-Nov-2017	ss-PtRe-0000	García Muelas, Rodrigo	vasp; 5.3.5; 31Mar14 (build Jun 1 2014 07:54:15) complex	Geometry optimization	-	-	-364.13445221; eV

Results 32201-32210 of 104079 (Search time: 0.02 seconds).