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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_PP_site ts_2_3	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Improved Dimer Method	DFT	-	-876.01773415; eV
	14-Jul-2015	radicalP7_3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB97D	6-31g*	-236.227165726; Eh
	14-Jul-2015	radicalP9_3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB97D	6-31g*	-196.942515465; Eh
	14-Jul-2015	radicalP7_5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB97D	6-31g*	-236.227224205; Eh
	23-Aug-2018	/ni4p3_ni5p4/ts_c2h2_PP_site ts_4_5_1	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Improved Dimer Method	DFT	-	-881.74779907; eV
	23-Aug-2018	/ni4p3_ni5p4/ts_c2h2_PP_site c2h4+2h	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-884.24427658; eV
	23-Aug-2018	/ni4p3_ni5p4/ts_c2h2_PP_site c2h2+2h	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-876.93594438; eV
	23-Aug-2018	/ni4p3_ni5p4/ts_c2h2_PP_site c2h5+h_1	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-883.36617878; eV
	23-Aug-2018	/ni4p3_ni5p4/ts_c2h2_P_Ni_site c2h2+2h	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-876.16317834; eV
	23-Aug-2018	/ni4p3_ni5p4/ts_c2h2_P_Ni_site c2h5+h_1	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-884.56725249; eV

Results 21601-21610 of 104508 (Search time: 0.012 seconds).