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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	27-Oct-2017	/DFT/Water 3_4_2	Bandeira, Nuno	ADF; 2016	Geometry optimization Minimum	DFT	TZP; DZP	-23.01897271; Eh
	28-Nov-2017	ol-RuAu-2215	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-386.24668236; eV
	28-Nov-2017	ol-PdCo-0000	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-256.04958539; eV
	3-Nov-2017	Pd-TPP_b	Fako, Edvin	vasp; 5.4.4; 26Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	-	-	-525.89610358; eV
	3-Nov-2017	Pd-TPP_TS4	Fako, Edvin	vasp; 5.4.4; 20Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Single point	-	-	-594.49066603; eV
	3-Nov-2017	Pd-atom_z	Fako, Edvin	vasp; 5.4.4; 31Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	-	-	-147.65768982; eV
	3-Nov-2017	Pd-atom_y	Fako, Edvin	vasp; 5.4.4; 32Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	-	-	-147.11606109; eV
	17-Oct-2017	/reactions/ni is_b42	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-599.26809352; eV
	17-Oct-2017	/reactions/ni A	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-698.10191784; eV
	29-Feb-2016	TS3b-trans-trans-solv	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D3	6-311G**	-3793.38967449; Eh

Results 2541-2550 of 103928 (Search time: 0.01 seconds).