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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Nov-2018	/water//water complexes aq-foso3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-415.9709736; Eh
	23-Aug-2018	/slabs/segregation/ni3p1 layer4_P_108_Ni_53	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-633.58537978; eV
	23-Aug-2018	/slabs/segregation/ni3p2 layer3_P_78_Ni_32	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-631.68814553; eV
	23-Aug-2018	/gas methyl_but_ol	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-79.57089442; eV
	9-Nov-2018	/water//water complexes aq-fenilfeco4axial	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-809.1083333; Eh
	9-Nov-2018	/water//water complexes aq-corhh2o5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-605.5437216; Eh
	9-Nov-2018	/water//water complexes aq-feniloso3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-547.8183986; Eh
	9-Nov-2018	/water//water complexes aq-fenilwco5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-865.7061636; Eh
	9-Nov-2018	/water//water complexes aq-fnbnh24	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-380.8549764; Eh
	9-Nov-2018	/water//water complexes aq-fcro3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-412.7867639; Eh

Results 22521-22530 of 103529 (Search time: 0.013 seconds).