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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	8-May-2017	Pt-5-38	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	-	-	-314.09307258; eV
	20-Jul-2017	/surfaces In2O3(111)_2xOvac5	Capdevila-Cortada, Marçal	vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex	Geometry optimization	-	-	-1079.58939486; eV
	20-Jul-2017	/C2H2_to_C4H4 111_Ovac_2xC2H2	Capdevila-Cortada, Marçal	vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex	Geometry optimization	-	-	-1136.40784120; eV
	20-Jul-2017	/C2H2_to_C4H4 111_Ovac_C4H4	Capdevila-Cortada, Marçal	vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex	Geometry optimization	-	-	-1137.26456176; eV
	26-Oct-2017	/THF 1-I-PMe3	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G**	-1796.04683539; Eh
	26-Oct-2017	/THF THF	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G**	-232.533046146; Eh
	29-Feb-2016	Br-solv	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D3	-	-13.3648482958; Eh
	17-Oct-2017	/Adsorption/ni/7x4 G5	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-599.50504510; eV
	17-Oct-2017	/Adsorption/ni/7x4 G10	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-586.16912117; eV
	17-Oct-2017	/Adsorption/ni/4x4 benzene	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	-	-	-412.04474850; eV

Results 18351-18360 of 104512 (Search time: 0.011 seconds).