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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	23-Aug-2018	/ni3p2_ni2p/ts_c2h2 ts_3_4	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-665.06448926; eV
	23-Aug-2018	/ni3p2_ni2p/h2 2	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-640.37283376; eV
	23-Aug-2018	/ni3p2_ni2p/ts_methyl_but_ol c2h4+2h	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-730.77398477; eV
	23-Aug-2018	/ni3p2_ni2p/ts_methyl_but_ol c2h6	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-730.35999372; eV
	23-Aug-2018	/ni3p2_ni2p/ts_c2h2 c2h5+h_1	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-673.58809885; eV
	23-Aug-2018	/ni3p2_ni2p/c2h4 7	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-665.41389922; eV
	23-Aug-2018	/ni3p2_ni2p/ts_methyl_but_ol c2h4	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-722.74977665; eV
	23-Aug-2018	/ni3p1_ni2p/ts_calculation ch2ch2	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-668.56201358; eV
	23-Aug-2018	/ni3p1_ni2p/ts_calculation c2h2+2h	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-666.91463869; eV
	23-Aug-2018	/ni3p1_ni2p/h2 8	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-642.58775551; eV

Results 131-140 of 314 (Search time: 0.002 seconds).