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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	12-Feb-2019	sa-RhCu-0011	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-337.07401644; eV
	8-Nov-2018	/water/complexes aq-ohtame4piram	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-292.5590723; Eh
	8-Nov-2018	/water/complexes aq-ohrhh2o5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-568.2660762; Eh
	8-Nov-2018	/water/complexes aq-optf5singlete	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-694.2998623; Eh
	8-Nov-2018	/water/complexes aq-ohrush4	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1766.1735719; Eh
	8-Nov-2018	/water/complexes aq-orush4	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1765.6587185; Eh
	8-Nov-2018	/water/complexes aq-opdph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-546.5193356; Eh
	23-Aug-2018	/slabs/segregation/ni3p1 layer3_P_108_Ni_38	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-630.91068388; eV
	23-Jul-2018	/Single-atom_Pt_CeO2/Pt-3O Pt++3O_(32,36)	Daelman, Nathan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-856.04260219; eV
	8-Nov-2018	/water/complexes aq-opdhph32_nhc	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-890.1426602; Eh

Results 11381-11390 of 104592 (Search time: 0.009 seconds).