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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	20-Jul-2017	/C2H4_to_C2H6 111_Ovac_C2H6	Capdevila-Cortada, Marçal	vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex	Geometry optimization	-	-	-1128.53328432; eV
	20-Jul-2017	/H2_activation 111_Ovac_2xOH	Capdevila-Cortada, Marçal	vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex	Geometry optimization	-	-	-1096.18440432; eV
	20-Jul-2017	/H2_activation 111_2xOH	Capdevila-Cortada, Marçal	vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex	Geometry optimization	-	-	-1104.20202704; eV
	20-Jul-2017	/H2_activation 111_InH-OH	Capdevila-Cortada, Marçal	vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex	Geometry optimization	-	-	-1101.84560757; eV
	20-Jul-2017	/H2_activation 111_Ovac_H2	Capdevila-Cortada, Marçal	vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex	Geometry optimization	-	-	-1094.78137870; eV
	20-Jul-2017	/H2_activation 111_H2	Capdevila-Cortada, Marçal	vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex	Geometry optimization	-	-	-1101.59571593; eV
	8-May-2017	Pd-9-24	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Improved Dimer Method	-	-	-254.83958621; eV
	8-May-2017	Pd-6-08	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-276.23942825; eV
	20-Jul-2017	/C2H4_to_C2H6 111_Ovac_C2H4+H2	Capdevila-Cortada, Marçal	vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex	Geometry optimization	-	-	-1127.73765829; eV
	20-Jul-2017	/C2H4_to_C2H6 111_Ovac_C2H5+H	Capdevila-Cortada, Marçal	vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex	Geometry optimization	-	-	-1128.85719398; eV

Results 311-320 of 98918 (Search time: 0.003 seconds).