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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	17-Oct-2016	/Initiation_Insertion/Int1 Int1	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	6-311G**	-1500.85161887; Eh
	17-Oct-2016	/Monometallic/TS_p_/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D3	6-311G**	-1999.20080559; Eh
	17-Oct-2016	/Dimer/Al_Me_Cl/Reactants/CHO/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D3	-	-309.728908968; Eh
	12-Dec-2016	/YbPr YbPr	González Fabra, Joan	ADF; 2013; 01	Geometry optimization	DFT	TZP; DZP	-27.49216415; Eh
	8-May-2017	Pt-4-31	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-317.72166006; eV
	17-Oct-2017	/Adsorption/ni/3x3/co h_l	Li, Qiang	vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex	Geometry optimization	-	-	-212.07414407; eV
	17-Oct-2016	/Dimer/Al_H_I/Poly/Product/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D3	6-311G**	-3006.26477369; Eh
	17-Oct-2016	/Dimer/Al_H_I/Poly/Product Product	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	6-311G**	-3006.20214293; Eh
	17-Oct-2016	/Dimer/Al_H_I/Poly/TS_p/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D3	6-311G**	-3006.23078843; Eh
	17-Oct-2016	/Dimer/Al_H_I/Reactants/CAT CAT	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	6-311G**	-1093.25062415; Eh

Results 8881-8890 of 103542 (Search time: 0.008 seconds).