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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	2-Aug-2018	MDsnap_dimer2_4100	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2218.80650134; 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
	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-ohticl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1515.0275539; Eh
	8-Nov-2018	/water/complexes aq-ooso3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-391.6110594; Eh
	23-Aug-2018	/slabs/segregation/ni3p2 layer4_P_78_Ni_38	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-630.42413364; eV
	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_(34,35)	Daelman, Nathan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-856.18276964; eV
	23-Jul-2018	/Single-atom_Pt_CeO2/Pt-3O Pt++3O_(33,36)	Daelman, Nathan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-856.37011318; eV

Results 13311-13320 of 103542 (Search time: 0.01 seconds).