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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	23-Jul-2018	/Single-atom_Pt_CeO2/Pt-3O Pt++3O_(33,34)	Daelman, Nathan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-856.40827385; eV
	8-Nov-2018	/water/complexes aq-omosh3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1340.1123197; Eh
	8-Nov-2018	/water/complexes aq-onbnh24	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-356.3357237; Eh
	8-Nov-2018	/water/complexes aq-oniph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-589.5219875; Eh
	8-Nov-2018	/water/complexes aq-omno3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-405.3705304; Eh
	23-Aug-2018	/gas 1_hexyne_4h	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-106.95362258; eV
	23-Aug-2018	/gas ch2ch3	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-34.35423587; eV
	23-Jul-2018	/Single-atom_Pt_CeO2/Pt-3O Pt++3O_(34,36)	Daelman, Nathan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-856.37261109; eV
	23-Jul-2018	/Molecular_Dynamics Pt3O_MD	Daelman, Nathan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Ab-Initio Molecular Dynamics	DFT	-	-381.59336865; eV
	23-Jul-2018	/Molecular_Dynamics Pt2O_MD	Daelman, Nathan	vasp; 5.3.5; 31Mar14 (build May 15 2015 09:43:55) complex	Ab-Initio Molecular Dynamics	DFT	-	-384.08253511; eV

Results 13321-13330 of 103542 (Search time: 0.01 seconds).