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Item hits:

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_(29,31)	Daelman, Nathan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-856.58375078; eV
	23-Jul-2018	/Single-atom_Pt_CeO2/Pt-3O Pt++3O_(30,31)	Daelman, Nathan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-856.53807384; eV
	23-Jul-2018	/Single-atom_Pt_CeO2/Pt-3O Pt++3O_(29,34)	Daelman, Nathan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-856.41576019; eV
	27-Feb-2018	K-Br-spiroC5-1THF-TS2	Ni, Shaofei	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	6-311++g**	-2938.61376636; Eh
	27-Feb-2018	K-I-C5-0THF-I5	Ni, Shaofei	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	6-311++g**	-2473.12937561; Eh
	27-Feb-2018	Br-R5	Ni, Shaofei	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	6-311++g**	-248.425517739; Eh
	27-Feb-2018	P4	Ni, Shaofei	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	-	-449.936008412; Eh
	23-Jul-2018	/Single-atom_Pt_CeO2/Pt-3O Pt++3O_(31,35)	Daelman, Nathan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-856.36204768; eV
	23-Jul-2018	/Single-atom_Pt_CeO2/Pt-3O Pt++3O_(31,32)	Daelman, Nathan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-856.29197937; eV
	23-Jul-2018	/Single-atom_Pt_CeO2/Pt-3O Pt++3O_(31,33)	Daelman, Nathan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-856.31317045; eV

Results 13391-13400 of 103542 (Search time: 0.011 seconds).