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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	2-Aug-2018	MDsnap_dimer2_2620	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2219.69678728; eV
	23-Jul-2018	/Single-atom_Pt_CeO2/Pt-4O Pt++4O_(33,34)	Daelman, Nathan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-857.18842131; eV
	23-Jul-2018	/Single-atom_Pt_CeO2/Pt-4O Pt++4O_(33,35)	Daelman, Nathan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-857.28141949; eV
	23-Jul-2018	/Single-atom_Pt_CeO2/Pt-4O Pt++4O_(32,35)	Daelman, Nathan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-857.30609713; eV
	23-Jul-2018	/Single-atom_Pt_CeO2/Pt-4O Pt++4O_(32,34)	Daelman, Nathan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-857.37306407; eV
	23-Jul-2018	/Single-atom_Pt_CeO2/Pt-4O Pt++4O_(32,33)	Daelman, Nathan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-857.46020795; eV
	23-Jul-2018	/Single-atom_Pt_CeO2/Pt-4O Pt++4O_(32,36)	Daelman, Nathan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:36) complex	Geometry optimization	DFT	-	-857.46959381; eV
	27-Feb-2018	K-Br-C6-1THF-I6	Ni, Shaofei	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	6-311++g**	-2746.84650957; Eh
	27-Feb-2018	Br-C5-I4	Ni, Shaofei	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	6-311++g**	-2213.65649917; Eh
	27-Feb-2018	spiroC5-I7	Ni, Shaofei	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	6-311++g**	-2664.75164356; Eh

Results 13541-13550 of 103542 (Search time: 0.01 seconds).