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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	23-Aug-2018	/ni4p3_ni5p4/ts_c2h2_P_Ni_site c2h3+h_2	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-876.06204893; eV
	23-Aug-2018	/ni4p3_ni5p4/ts_c2h2_PP_site c2h3+h	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-877.68409590; eV
	14-Jul-2015	radicalP4_2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB97D	6-31g*	-196.939996404; Eh
	23-Aug-2018	/ni4p3_ni5p4/ts_c2h2_P_Ni_site c2h3+h_1	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-875.52455475; eV
	23-Aug-2018	/ni4p3_ni5p4/ts_c2h2_PP_site c2h5+h_2	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-884.57097526; eV
	23-Aug-2018	/ni4p3_ni5p4/ts_c2h2_P_Ni_site c2h4	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-876.10492906; eV
	2-Aug-2018	MDsnap_trimer1_4300	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2222.61055564; eV
	12-Feb-2019	sa-AuPt-0111	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-163.08370785; eV
	14-Jul-2015	radicalP7_4	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB97D	6-31g*	-236.227224428; Eh
	18-Sep-2019	Au_atom	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Single point	DFT	-	-0.18658681; eV

Results 21611-21620 of 104508 (Search time: 0.013 seconds).