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Browsing by Author Capdevila, Marçal

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Showing results 1 to 5 of 5

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	14-Sep-2016	CeO4-t_13L	Capdevila, Marçal	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-523.79343949; eV
	14-Sep-2016	O-t_13L_001	Capdevila, Marçal	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-1291.91867127; eV
	14-Sep-2016	O-t_13L_105	Capdevila, Marçal	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-1287.49615937; eV
	14-Sep-2016	O-t_13L_136	Capdevila, Marçal	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-1286.60596086; eV
	14-Sep-2016	O-t_13L_198	Capdevila, Marçal	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-1280.26383946; eV

Showing results 1 to 5 of 5