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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	17-Oct-2017	/Solvation/eg C	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jun 6 2017 15:19:41) complex	Geometry optimization	-	-	-267.18632627; eV
	17-Oct-2017	/Solvation/eg D	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jun 6 2017 15:19:41) complex	Geometry optimization	-	-	-267.22093467; eV
	17-Oct-2017	/Solvation/eg B	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jun 6 2017 15:19:41) complex	Geometry optimization	-	-	-267.17933063; eV
	12-Feb-2019	sa-OsCu-1311	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-537.80994672; eV
	17-Oct-2017	/reactions/niru is_a01	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-701.34070062; eV
	17-Oct-2017	/reactions/niru is_a02	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-701.20384463; eV
	28-Nov-2017	ol-RhNi-0111	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-321.96942199; eV
	17-Oct-2017	/reactions/niru is_a12	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-701.29355638; eV
	17-Oct-2017	/reactions/niru fs_b15	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-599.10802559; eV
	17-Oct-2017	/reactions/niru is_a13	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-700.81877034; eV

Results 19351-19360 of 104510 (Search time: 0.013 seconds).