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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	27-Apr-2020	/NiNx-saturated/NiN3 NiN3-cooh	Prslja, Paulina	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-660.36897033; eV
	27-Apr-2020	/NiNx-saturated/NiN3 NiN3-co2	Prslja, Paulina	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-657.33888004; eV
	27-Apr-2020	/NiNx-saturated/NiN3 NiN3-co	Prslja, Paulina	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-650.23028461; eV
	27-Apr-2020	/NiNx-saturated/NiN3 NiN3-h	Prslja, Paulina	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-637.03576903; eV
	6-Aug-2020	/freq/intermediates/Ni/Cl top	Pablo-García, Sergio	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-187.52170312; eV
	6-Aug-2020	/freq/intermediates/Ni/Cl hcp	Pablo-García, Sergio	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-188.20713938; eV
	23-Feb-2021	Fe-s_3CO-H2-sigma	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1962.13675376; eV
	30-Jul-2020	AC_freq_TS_addH2	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-707.86330778; eV
	27-Apr-2020	/NiNx-saturated/NiN3C NiN3C-co	Prslja, Paulina	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-664.10045928; eV
	27-Apr-2020	/NiNx-saturated/NiN3C NiN3C-h	Prslja, Paulina	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-654.01518264; eV

Results 19401-19410 of 103542 (Search time: 0.013 seconds).