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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	23-Aug-2018	/bulk_opt ni2p	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-54.02884509; eV
	28-Nov-2017	ss-RhZn-0000	García Muelas, Rodrigo	vasp; 5.3.5; 31Mar14 (build Jun 1 2014 07:54:15) complex	Geometry optimization	-	-	-265.87886662; eV
	9-Nov-2018	/vacuum/complexes omerhh2o5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-607.283768111; Eh
	23-Aug-2018	/ni4p3_ni5p4/methyl_but_ol o_h_breaking1	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-925.92420291; eV
	23-Aug-2018	/ni4p3_ni5p4/methyl_but_ol o_h_breaking2	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-924.53016800; eV
	23-Aug-2018	/ni4p3_ni5p4/methyl_but_ol o_h_breaking3	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-924.48010660; eV
	23-Aug-2018	/ni4p3_ni5p4/methyl_but_ol 8	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-925.03479573; eV
	23-Aug-2018	/ni4p3_ni5p4/methyl_but_ol 9	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-925.98414261; eV
	28-Nov-2017	ss-RhRu-0111	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-368.70641283; eV
	28-Nov-2017	ss-RuAu-0000	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-336.00580353; eV

Results 3321-3330 of 104079 (Search time: 0.006 seconds).