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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	19-Mar-2026	/Energy-profiles/FF-to-HF/FF-to-dl-HF-Ag-S FFH-FFH-Ag-S(111)	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-343.24753017; eV
	19-Mar-2026	/Energy-profiles/FF-to-HF/FF-to-dl-HF-Ag-S H-FFH-FF-Ag-S(111)	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-343.59319460; eV
	26-Aug-2024	geom112_nox_w5_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-705.6427752; Eh
	26-Aug-2024	geom62_w10_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-764.3472459; Eh
	26-Aug-2024	geom17_w9_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-687.9091506; Eh
	26-Aug-2024	geom30_ee	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RBP86	6-31G	-6614.6951551; Eh
	25-Jun-2024	/Intermediates/Ag/100 C4H10N2_8	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-213.25455080; eV
	25-Jun-2024	/Intermediates/Ni/100 C3H8	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-303.16027047; eV
	19-Mar-2026	/Energy-profiles/FF-to-HF/FF-to-dl-HF-Ag-S FA-Ag-S(111)	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-344.32872399; eV
	19-Mar-2026	/PW P01W03O13-3H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-5.44619266; Eh

Results 75171-75180 of 104126 (Search time: 0.046 seconds).