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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	27-Feb-2018	Na-Br-C5-0THF-I6	Ni, Shaofei	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	6-311++g**	-2609.08184909; Eh
	27-Feb-2018	K-Br-C4-3THF-I5	Ni, Shaofei	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	-	6-311++g**	-3133.01227478; Eh
	27-Feb-2018	K-Br-C6-3THF-I6	Ni, Shaofei	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	-	6-311++g**	-3211.78063667; Eh
	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
	2-Aug-2018	MDsnap_dimer2_2520	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2217.39837455; 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_(29,30)	Daelman, Nathan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-857.30479876; 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_(30,34)	Daelman, Nathan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-857.32693074; eV

Results 13511-13520 of 103542 (Search time: 0.011 seconds).