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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/niru fs_a04	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-701.60838291; eV
	17-Oct-2017	/reactions/niru fs_b01	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-701.25517326; eV
	17-Oct-2017	/reactions/niru fs_b04	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-701.40566484; eV
	17-Oct-2017	/reactions/niru fs_b11	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-702.37228700; eV
	17-Oct-2017	/reactions/niru is_b11	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-701.19540679; eV
	17-Oct-2017	/reactions/niru fs_a02	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-699.94322988; eV
	17-Oct-2017	/reactions/niru fs_a11	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-702.74553802; eV
	1-Dec-2017	/Racemization/TS_Rac/Int_Rac Int_Rac	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-456.274453586; Eh
	3-Nov-2017	Pd-ECN_b	Fako, Edvin	vasp; 5.4.4; 45Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	-	-	-1982.56431213; eV
	17-Oct-2017	/reactions/niru is_b04	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-701.22182443; eV

Results 19211-19220 of 104510 (Search time: 0.012 seconds).