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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_2460	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2219.87485885; eV
	23-Jul-2018	/Single-atom_Pt_CeO2/Pt-4O Pt++4O_(29,31)	Daelman, Nathan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-857.35087966; eV
	23-Jul-2018	/Single-atom_Pt_CeO2/Pt-4O Pt++4O_(29,33)	Daelman, Nathan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-857.35689346; eV
	23-Jul-2018	/Single-atom_Pt_CeO2/Pt-4O Pt++4O_(29,32)	Daelman, Nathan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-857.02502502; eV
	23-Jul-2018	/Single-atom_Pt_CeO2/Pt-4O Pt++4O_(30,35)	Daelman, Nathan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-857.32549277; eV
	23-Jul-2018	/Single-atom_Pt_CeO2/Pt-4O Pt++4O_(30,34)	Daelman, Nathan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-857.32693074; eV
	27-Feb-2018	Na-Br-C5-2THF-I6	Ni, Shaofei	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	6-311++g**	-3074.01912593; Eh
	27-Feb-2018	K-I-C6-0THF-TS2	Ni, Shaofei	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	6-311++g**	-2512.43567024; Eh
	27-Feb-2018	Br-spiroC5-TS4b	Ni, Shaofei	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	RwB97XD	6-311++g**	-2444.80453794; Eh
	27-Feb-2018	Br-spiroC5-TS4a	Ni, Shaofei	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	RwB97XD	6-311++g**	-2444.82095743; Eh

Results 11591-11600 of 104593 (Search time: 0.01 seconds).