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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	3-Nov-2017	Pd-ECN_z	Fako, Edvin	vasp; 5.4.4; 40Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	-	-	-2052.86447272; eV
	17-Oct-2017	/reactions/niru is_b16	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-598.70003349; eV
	17-Oct-2017	/reactions/niru ts_a14	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-695.99462102; eV
	17-Oct-2017	/reactions/niru ts_a15	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-597.85743111; eV
	3-Nov-2017	Pd-ECN_A3	Fako, Edvin	vasp; 5.4.4; 42Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	-	-	-2148.14531406; eV
	3-Nov-2017	Pd-ECN_y	Fako, Edvin	vasp; 5.4.4; 41Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	-	-	-2051.93355575; eV
	17-Oct-2017	/reactions/niru ts_a04	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	-	-	-700.33069954; eV
	17-Oct-2017	/reactions/niru ts_a03	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-700.40539120; eV
	17-Oct-2017	/reactions/niru ts_a12	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-700.61631791; eV
	17-Oct-2017	/reactions/niru ts_a11	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-701.25717108; eV

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