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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	23-Aug-2018	/ni3p1_ni2p/c2h6 4	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-676.22608897; eV
	23-Aug-2018	/ni3p1_ni2p/c2h4 7	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-668.01903908; eV
	23-Aug-2018	/ni3p1_ni2p/c2h6 2	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-676.14653424; eV
	23-Aug-2018	/ni3p1_ni2p/ch3 2	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-655.31372899; eV
	23-Aug-2018	/ni3p1_ni2p/h2 2	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-642.48338658; eV
	23-Aug-2018	/ni3p1_ni2p/h2 1	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-642.08354226; eV
	19-Sep-2018	/0_electrons/1_H+/Mo2O2S6H B	Bandeira, Nuno	ADF; 2017	Geometry optimization Minimum	DFT	TZ2P	-2.65022452; Eh
	23-Jul-2018	/2butyne/Ni/111/1H C4H7NT+Hcis	Navarro-Ruiz, Javier; Cornu, Damien	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complex	Geometry optimization	DFT	-	-312.48962260; eV
	23-Jul-2018	/2butyne/Ni/111/1H C4H8cis	Navarro-Ruiz, Javier; Cornu, Damien	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complex	Geometry optimization	DFT	-	-312.66702035; eV
	2-Aug-2018	MDsnap_trimer1_1160	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2220.99901095; eV

Results 10501-10510 of 104592 (Search time: 0.008 seconds).