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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/111/no_cation/slab sol_vs37_on	Seemakurthi, Ranga Rohit	vasp; 5.3.5; 31Mar14 (build Jun 18 2014 16:11:06) complex	Single point	DFT	-	-94.18484402; eV
	19-Mar-2026	/V V05O16-2H-iso-0	Buils, Jordi	ADF; 2019	Single point	PBE	TZP	-
	26-Aug-2024	geom17_nox2_w8_nodisp_HLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-311G(D,P)	-1258.8469239; Eh
	26-Aug-2024	geom10_w8_nodisp_HLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-311G(D,P)	-611.7469435; Eh
	26-Aug-2024	geom2_w12_HLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-311G(D,P)	-917.6864484; Eh
	26-Aug-2024	geom60_w7_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-535.0284307; Eh
	25-Jun-2024	/Intermediates/Au/100 C2H6S	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-192.00887203; eV
	25-Jun-2024	/Intermediates/Au/100 C3H6S	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-200.71601550; eV
	25-Jun-2024	/Intermediates/Au/100 CH4S	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-175.36109006; eV
	6-Sep-2024	/PBE/PMo H4O2	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-1.06455822; Eh

Results 76401-76410 of 104126 (Search time: 0.091 seconds).