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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-May-2019	/M4O14_2H_4iso M4O14_2H_4iso	Petrus, Enric	ADF; 2016	Single point	DFT	TZP	-
	19-Sep-2018	/2_electrons/Heyrovsky_best_candidate H2_released	Bandeira, Nuno	ADF; 2017	Geometry optimization	DFT	TZP	-3.92616367; Eh
	19-Sep-2018	/2_electrons/Heyrovsky_best_candidate TS	Bandeira, Nuno	ADF; 2017	TS	DFT	TZP	-3.89941155; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/VII VII	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) LANL2DZ GENECP	-1727.296224; Eh
	6-Aug-2020	/freq/intermediates/Cu/CI hcp	Pablo-García, Sergio	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-144.07882312; eV
	6-Aug-2020	/freq/intermediates/Cu/Cl hcp	Pablo-García, Sergio	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-137.99548367; eV
	6-Aug-2020	/freq/intermediates/Cu/Cl fcc	Pablo-García, Sergio	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-138.03701902; eV
	6-Aug-2020	/freq/intermediates/Cu/F hcp	Pablo-García, Sergio	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-138.62153401; eV
	6-Aug-2020	/freq/intermediates/Cu/F fcc	Pablo-García, Sergio	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-138.68728636; eV
	28-May-2019	/M4O14_3H_2iso M4O14_3H_2iso	Petrus, Enric	ADF; 2016	Single point	DFT	TZP	-

Results 31521-31530 of 104079 (Search time: 0.02 seconds).