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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	29-Feb-2016	TS3a-trans-trans-solv	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D3	6-311G**	-3793.36713557; Eh
	28-Nov-2017	ol-RhPt-0111	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-333.78014571; eV
	17-Oct-2017	/Solvation/eg ethylbenzene_1	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jun 6 2017 15:19:41) complex	Geometry optimization	-	-	-109.49469497; eV
	17-Oct-2017	/Solvation/eg ethylbenzene_2	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jun 6 2017 15:19:41) complex	Geometry optimization	-	-	-109.52251935; eV
	12-Feb-2019	sa-IrAu-2315	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-438.03166037; eV
	17-Oct-2017	/Solvation/eg G7	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jun 6 2017 15:19:41) complex	Geometry optimization	-	-	-162.47678066; eV
	17-Oct-2017	/Solvation/eg G6	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jun 6 2017 15:19:41) complex	Geometry optimization	-	-	-162.25485736; eV
	17-Oct-2017	/Solvation/eg G5	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jun 6 2017 15:19:41) complex	Geometry optimization	-	-	-169.16917446; eV
	17-Oct-2017	/Solvation/eg E	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jun 6 2017 15:19:41) complex	Geometry optimization	-	-	-260.56820732; eV
	17-Oct-2017	/Solvation/eg G4	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complex	Geometry optimization	-	-	-154.39849866; eV

Results 19331-19340 of 104510 (Search time: 0.012 seconds).