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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-Nov-2017	ss-PdCu-2215	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-258.29077204; eV
	17-Oct-2017	/Adsorption/ru/4x4 phenol_methoxy	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	-	-	-671.10023776; eV
	17-Oct-2017	/Adsorption/ru/7x4 G3	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	-	-	-889.37906847; eV
	17-Oct-2017	/Adsorption/ru/7x4 G6	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	-	-	-889.67055386; eV
	17-Oct-2017	/Adsorption/ru/7x4 G5	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	-	-	-896.70609116; eV
	17-Oct-2017	/Adsorption/ru/7x4 G4	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	-	-	-882.31429925; eV
	17-Oct-2017	/Adsorption/ru/4x4 slab	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	-	-	-563.34665574; eV
	12-Feb-2019	ss-AuIr-2611	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-252.96469738; eV
	12-Feb-2019	ss-AgIr-2201	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-210.43072061; eV
	26-Oct-2017	/THF TS_H_abstraction_THF	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-311+G**	-464.165098393; Eh

Results 2021-2030 of 104079 (Search time: 0.005 seconds).