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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	6-Sep-2024	/M06L/V V03O10-1H	Buils, Jordi	ADF; 2019	Single point	M06-L == Not Default ==	TZP	-
	29-Jul-2024	IRCTSE4-chair	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	-	6-31G(D) SDD	-1074.11391440; Eh
	29-Jul-2024	IRCTSE5b	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	-	6-31G(D) SDD	-1074.14601914; Eh
	27-Jul-2024	/Ni_111/TS TS_CH2+H__CH3	González Acosta, José Manuel	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Frequencies	DFT	-	-270.60991059; eV
	10-Sep-2024	Pt_NO3_2_keto4_acet_metal	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-2027.35256120; eV
	6-Sep-2024	/M06L/W W11O40-1H	Buils, Jordi	ADF; 2019	Single point	M06-L == Not Default ==	TZP	-
	6-Sep-2024	/M06L/W W12O40-1H	Buils, Jordi	ADF; 2019	Single point	M06-L == Not Default ==	TZP	-
	31-May-2024	/Profiles/Pd₂-mpg-C₃N₄ H-VPH-Pd₂-mpg-C₃N₄	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-
	31-May-2024	/Profiles/Pd₂-mpg-C₃N₄ VPH-Pd₂-mpg-C₃N₄	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-
	10-Sep-2024	Pt_NO3_2_1S_hcl	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-2026.87782177; eV

Results 2571-2580 of 100175 (Search time: 0.004 seconds).