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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	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	/C2H2_activation 111_C2H2_phys	Capdevila-Cortada, Marçal	vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex	Geometry optimization	-	-	-1117.99139020; 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
	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
	20-Jul-2017	/C2H2_to_C2H4 111_Ovac_C2H2+H2	Capdevila-Cortada, Marçal	vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex	Geometry optimization	-	-	-1119.77805404; eV
	20-Jul-2017	/C2H2_to_C2H4 111_Ovac_C2H3+H	Capdevila-Cortada, Marçal	vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex	Geometry optimization	-	-	-1119.92009434; eV
	20-Jul-2017	/H2_activation 111_Ovac_InH-OH	Capdevila-Cortada, Marçal	vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex	Geometry optimization	-	-	-1095.66768709; eV

Results 1771-1780 of 104079 (Search time: 0.004 seconds).