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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	10-Sep-2024	Pd-PPh3	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-2126.45626452; eV
	10-Sep-2024	Pt_OH_2_keto3S_acet_metal	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1973.79926679; eV
	6-Sep-2024	/M06L/V V03O09-1H	Buils, Jordi	ADF; 2019	Single point	M06-L == Not Default ==	TZP	-
	6-Sep-2024	/M06L/V V03O09-0H	Buils, Jordi	ADF; 2019	Single point	M06-L == Not Default ==	TZP	-
	27-Jul-2024	/Ni_111/TS TS_CH2OH+H__CH3OH	González Acosta, José Manuel	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Frequencies	DFT	-	-280.91955412; eV
	27-Jul-2024	/Ni_111/TS TS_CH3+H__CH4	González Acosta, José Manuel	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Frequencies	DFT	-	-274.37962695; eV
	10-Sep-2024	Pt_NO3_2_keto4_h_cl_scaffold	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-2011.89199654; eV
	6-Sep-2024	/M06L/V H4O2	Buils, Jordi	ADF; 2019	Single point	M06-L == Not Default ==	TZP	-
	6-Sep-2024	/M06L/V H3O	Buils, Jordi	ADF; 2019	Single point	M06-L == Not Default ==	TZP	-
	31-May-2024	/Profiles/Pd₂-mpg-C₃N₄ TS-H-VP-Pd₂-mpg-C₃N₄	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2021.16858362; eV

Results 1831-1840 of 100136 (Search time: 0.004 seconds).