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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	2-Dec-2016	/TSs_of_C+H ts_2_sorbitol	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Geometry optimization	-	-	-714.04151140; eV
	2-Dec-2016	/TSs_of_C+H ts_2_mannitol	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Frequencies	-	-	-714.34181296; eV
	2-Dec-2016	/adsorption h2o	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-578.66287275; eV
	17-Oct-2016	/Dimer/Al_H_I/Insertion/Int2/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D3	6-311G**	-2696.50429452; Eh
	24-Jan-2019	/Reductive_Elimination 6	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-2083.692716; Eh
	6-Apr-2017	Adsorption_of_nitrobenzene_on_PtNP-_N(CH3)3CH2OH_H2PO4_+_H3O+	Almora, Neyvis	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 15:16:02) gamma-only	Geometry optimization	-	-	-5859.87531054; eV
	6-Apr-2017	sym-Pt(111)-_N(CH3)3CH2OH_H2PO4	Almora, Neyvis	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 15:16:02) gamma-only	Single point	-	-	-1574.64164637; eV
	6-Apr-2017	NEB_of_H2_on_PtNP-HHDMA-w	Almora, Neyvis	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 15:16:02) gamma-only	Geometry optimization	-	-	-5773.04879662; eV
	6-Apr-2017	Adsorption_of_nitrobenzene	Almora, Neyvis	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 15:16:02) gamma-only	Geometry optimization	-	-	-
	6-Apr-2017	Pt260NP	Almora, Neyvis	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 15:16:02) gamma-only	Single point	-	-	-1284.94171579; eV

Results 8631-8640 of 103542 (Search time: 0.007 seconds).