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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-4O Pt++4O_(29,36)	Daelman, Nathan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-857.33580529; eV
	23-Jul-2018	/Single-atom_Pt_CeO2/Pt-4O Pt++4O_(30,31)	Daelman, Nathan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-857.45085022; eV
	27-Feb-2018	K-Br-C6-0THF-TS2	Ni, Shaofei	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	6-311++g**	-2514.19708431; Eh
	27-Feb-2018	Br-spiroC5-TS4d	Ni, Shaofei	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	RwB97XD	6-311++g**	-2444.81869150; Eh
	27-Feb-2018	I1	Ni, Shaofei	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	6-311++g**	-1944.29046348; Eh
	27-Feb-2018	K-Br-C4-2THF-I5	Ni, Shaofei	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	-	6-311++g**	-2900.54288934; Eh
	2-Aug-2018	MDsnap_dimer2_2780	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2219.35265627; eV
	2-Aug-2018	MDsnap_dimer2_2640	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2219.72066774; eV
	2-Aug-2018	MDsnap_dimer2_2660	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2219.57236510; eV
	2-Aug-2018	MDsnap_dimer2_2560	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2219.20876377; eV

Results 13491-13500 of 103542 (Search time: 0.01 seconds).