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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	17-Oct-2017	/reactions/ni G9	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-592.69862877; eV
	17-Oct-2017	/reactions/ni G3	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-591.72942449; eV
	12-Feb-2019	sa-RuCu-2412	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-457.57429060; eV
	29-Feb-2016	ICp-b-trans-trans-solv	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D3	6-311G**	-3793.41147999; Eh
	28-Nov-2017	ol-RuCd-0011	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-332.74710177; eV
	3-Nov-2017	Pd-TPP_A3	Fako, Edvin	vasp; 5.4.4; 23Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	-	-	-437.82065795; eV
	17-Oct-2017	/reactions/ni G4+2H	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-592.75815917; eV
	17-Oct-2017	/reactions/ni is_a15	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-595.50447365; eV
	17-Oct-2017	/reactions/ni G6	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-592.59074342; eV
	17-Oct-2017	/reactions/ni G4	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-584.93109212; eV

Results 2521-2530 of 103928 (Search time: 0.004 seconds).