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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-Nov-2017	ol-CdAg-0011	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-62.43177194; eV
	1-Dec-2017	/NMR_IR/IR/BP86/Carbonate_Water_NoAl Carbonate_Water_NoAl	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RBP86	-	-456.572117669; Eh
	1-Dec-2017	/NMR_IR/IR/BP86/TBDH_HCO3/Freq Freq	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RBP86	-	-703.846157215; Eh
	1-Dec-2017	/NMR_IR/IR/BP86/Acid Acid	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RBP86	-	-457.049412797; Eh
	8-May-2017	Ru-9-05	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Frequencies	-	-	-347.33939740; eV
	18-Sep-2019	mech_epo2_a2	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-2046.13782848; eV
	18-Sep-2019	screen_AuCl-rol3	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1972.96551608; eV
	18-Sep-2019	mech_epo2_a4	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-2053.12096661; eV
	18-Sep-2019	mech_epo2_a1	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-2046.48367096; eV
	18-Sep-2019	mech_epo2_a3	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-2052.80136141; eV

Results 21461-21470 of 104508 (Search time: 0.014 seconds).