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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	17-Oct-2017	/Adsorption/ru/7x4 G10	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	-	-	-883.16951867; eV
	17-Oct-2017	/Adsorption/ru/7x4 D	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	-	-	-995.32755849; eV
	29-Feb-2016	TS3a-cis-cis	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB97D3	6-311G**	-3793.32692337; Eh
	26-Oct-2017	/THF 3-Cl-PMe3	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G**	-1783.76597845; Eh
	17-Oct-2017	/Adsorption/ru/7x4 phenol	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	-	-	-810.37963325; eV
	17-Oct-2017	/Adsorption/ru/7x4 A	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	-	-	-995.77603337; eV
	17-Oct-2017	/Adsorption/ru/7x4 B	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	-	-	-995.55414275; eV
	17-Oct-2017	/Adsorption/ni/7x4 D	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-697.67070931; eV
	17-Oct-2017	/Adsorption/ru/7x4 slab	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	-	-	-725.56347386; eV
	17-Oct-2017	/Adsorption/ru/7x4 G2	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	-	-	-882.48421742; eV

Results 18421-18430 of 104512 (Search time: 0.011 seconds).