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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-May-2017	/VCM_chlorination/18 initial	Higham, Michael	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-912.87412740; eV
	28-Nov-2017	ss-RhZn-2215	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-298.71876940; eV
	9-Nov-2018	/vacuum/complexes omeptf5singlete	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-733.807491314; Eh
	9-Nov-2018	/noDisp/complexes sin-piridinafecl3-	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1753.1041296; Eh
	9-May-2017	/C2H4_oxidation/11b initial	Higham, Michael	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-913.11120444; eV
	9-May-2017	/VCM_oxidation/22 initial	Higham, Michael	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-916.69992363; eV
	9-May-2017	/VCM_chlorination/13 initial	Higham, Michael	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-917.45113590; eV
	9-May-2017	/VCM_chlorination/15 final	Higham, Michael	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-913.11950148; eV
	9-May-2017	/VCM_oxidation/19 initial	Higham, Michael	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-916.42528975; eV
	9-May-2017	/VCM_chlorination/17 initial	Higham, Michael	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-917.28085105; eV

Results 19941-19950 of 104510 (Search time: 0.012 seconds).