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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
8-May-2017	Ru-34102	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	-	-	-366.42767424; eV
8-May-2017	Ru-33103	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	-	-	-362.88299756; eV
1-Dec-2016	/gas gama_valerolatone	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-88.70360188; eV
1-Dec-2016	/gas 14pentanediol	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	-	-	-103.40797518; eV
1-Dec-2016	/intermediateds 01_r	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	-	-	-660.39919189; eV
1-Dec-2016	/gas chloroacetic	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-44.85304930; eV
1-Dec-2016	/gas formic	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-29.73803496; eV
1-Dec-2016	/gas h2o	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-14.21811041; eV
1-Dec-2016	/gas oxalic	Li, Qiang	vasp; 5.3.2; 13Sep12 (build Oct 26 2012 12:42:58) complex	Geometry optimization	-	-	-52.64325581; eV
1-Dec-2016	/gas h2	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-6.76647285; eV

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