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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	30-May-2024	/CO3_radical Au100-CO3rad_fix_2H2O	Ibáñez-Alé, Enric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Frequencies	DFT	-	-557.25736379; eV
	10-Sep-2024	Pd-PPh3-PhBr_Br	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-2200.85217771; eV
	30-May-2024	/CO3_react Au100-HCO3_H_2H2O	Ibáñez-Alé, Enric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-
	30-May-2024	/CO2_react Au100-CHO_H	Ibáñez-Alé, Enric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-
	27-Jul-2024	/Ni_111/TS TS_CO2+H__COOH	González Acosta, José Manuel	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Frequencies	DFT	-	-276.98608112; eV
	27-Jul-2024	/Ni_111/TS TS_CO__C+O	González Acosta, José Manuel	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Frequencies	DFT	-	-265.01423017; eV
	10-Sep-2024	Pt_OH_2_keto4_acet_carbon	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1997.77626937; eV
	20-Jun-2025	/Mn_proj/Surfaces/112/phonopy/disp_165 disp_165	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-1043.61042882; eV
	27-Jul-2024	/Ni_111/TS TS_CHOH+H__CH2OH	González Acosta, José Manuel	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Frequencies	DFT	-	-276.96813326; eV
	27-Jul-2024	/Ni_111/TS TS_CHO+H__CH2O	González Acosta, José Manuel	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Frequencies	DFT	-	-272.53106114; eV

Results 731-740 of 100136 (Search time: 0.004 seconds).