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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-Nov-2017	ol-RuAg-0000	García Muelas, Rodrigo	vasp; 5.3.5; 31Mar14 (build Jun 1 2014 07:54:15) complex	Geometry optimization	-	-	-347.67609007; eV
	3-Nov-2017	Pd-TPP_z	Fako, Edvin	vasp; 5.4.4; 21Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	-	-	-595.83806977; eV
	17-Oct-2017	/reactions/niru ts_b11	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-701.20251997; eV
	17-Oct-2017	/reactions/niru ts_b04	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-700.26624222; eV
	17-Oct-2017	/reactions/ni fs_a15	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-595.95901331; eV
	17-Oct-2017	/reactions/ni fs_a16	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-595.73847433; eV
	12-Feb-2019	sa-RhIr-2411	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-375.34641580; eV
	29-Feb-2016	LO-ts3b-cis-cis	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Structure	-	6-311G**	-3793.32355642; Eh
	28-Nov-2017	ol-RuCo-0111	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-407.58422614; eV
	28-Nov-2017	ol-PdCo-0011	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-265.28308326; eV

Results 2481-2490 of 103928 (Search time: 0.004 seconds).