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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Nov-2018	/noDisp/complexes sin-hecro3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-315.5571994; Eh
	23-Aug-2018	/ni111/c2h4 3	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-221.08415086; eV
	23-Aug-2018	/ni111/c2h4 4	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-221.08112346; eV
	23-Aug-2018	/ni111/c2h4 2	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-221.19479923; eV
	9-Nov-2018	/noDisp/complexes sin-scnrhh2o5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-983.1658663; Eh
	9-Nov-2018	/vacuum/complexes imidazolfeco4axial	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-803.563980641; Eh
	9-Nov-2018	/noDisp/complexes sin-scro3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-710.9315259; Eh
	9-Nov-2018	/noDisp/complexes sin-scnk2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-519.4090606; Eh
	9-Nov-2018	/noDisp/complexes sin-heconh35	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-430.5110701; Eh
	23-Aug-2018	/slabs/segregation/ni5p4 layer9_P_159_Ni_96	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1280.89749343; eV

Results 22611-22620 of 103529 (Search time: 0.014 seconds).