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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	25-Apr-2024	/Ag/cluster_calcs/K/5_H2O 5_7400	Seemakurthi, Ranga Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-73.04050115; eV
	25-Jun-2024	/Intermediates/Au/100 C4H9NO2_5	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-239.31306024; eV
	25-Jun-2024	/Intermediates/Au/100 C4H9NO2_2	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-239.78720405; eV
	6-Sep-2024	/PBE/Ta Ta03O10-1H	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-4.72458468; Eh
	6-Sep-2024	/PBE/Ta Ta03O10-0H	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-4.69913794; Eh
	18-Jun-2024	/Transition_states/Rh/111 2314-1112+1201	Morandi, Santiago	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	DFT	-	-
	18-Jun-2024	/Transition_states/Rh/111 2221-1111+1111	Morandi, Santiago	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	DFT	-	-
	19-Mar-2026	/V V04O13-1H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-5.78455800; Eh
	19-Mar-2026	/V V07O21-0H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-9.30158028; Eh
	19-Mar-2026	/Adsorptions/FF frq-FF-Ag-3S	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Frequencies	DFT	-	-273.82552940; eV

Results 76471-76480 of 104126 (Search time: 0.045 seconds).