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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	30-Jul-2020	AC_BrCH2-Pt-H	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-701.68090439; eV
	30-Jul-2020	AC_BrCH2-Pt-HBr-H	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-
	17-Oct-2017	/Solvation/eg G9	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jun 6 2017 15:19:41) complex	Geometry optimization	-	-	-162.55508313; eV
	17-Oct-2017	/Solvation/eg G8	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jun 6 2017 15:19:41) complex	Geometry optimization	-	-	-169.19245973; eV
	17-Oct-2017	/Solvation/eg G3	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jun 6 2017 15:19:41) complex	Geometry optimization	-	-	-161.20182054; eV
	17-Oct-2017	/Solvation/eg phenol	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jun 6 2017 15:19:41) complex	Geometry optimization	-	-	-83.10581265; 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
	30-Jul-2020	AC_BrCH3-Pt	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-701.42866711; 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

Results 2751-2760 of 103928 (Search time: 0.005 seconds).