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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	25-Jun-2024	/Intermediates/Ag/100 C3H8N2_9	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-196.24692754; eV
	25-Jun-2024	/Intermediates/Ni/100 C4H9NO2_4	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-338.35502653; eV
	25-Jun-2024	/Intermediates/Ag/100 C4H10N2	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-213.49760955; eV
	25-Jun-2024	/Intermediates/Au/100 CH3_1	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-
	19-Mar-2026	/Energy-profiles/FF-to-HF/FF-to-dl-HF-Ag-3S FFH-FFH-Ag-3S(111)	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-353.67037958; eV
	19-Mar-2026	/Energy-profiles/FF-to-HF/FF-to-dl-HF-Ag-3S FA-Ag-3S(111)	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-354.52361197; eV
	6-Sep-2024	/PBE/PMo P01Mo00O04-3H	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-1.70205428; Eh
	6-Sep-2024	/PBE/PMo P01Mo00O04-2H	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-1.72047501; Eh
	25-Jun-2024	/Intermediates/Ni/100 C2H5NO2_1	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-305.30444521; eV
	25-Jun-2024	/Intermediates/Au/100 C2H5NO_3	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-197.59201001; eV

Results 72901-72910 of 104128 (Search time: 0.043 seconds).