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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	6-Sep-2024	/PBE/AsMo As01Mo09O34-5H	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-14.13965746; Eh
	25-Jun-2024	/Intermediates/Cu/100 C3H8N2_7	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-242.01569804; eV
	25-Jun-2024	/Intermediates/Ag/100 CH2S	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-143.17225148; eV
	25-Jun-2024	/Intermediates/Cd/0001 C2H6	Morandi, Santiago	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	DFT	-	-
	18-Jun-2024	/Transition_states/Zn/0001 2323-2212+0111	Morandi, Santiago	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	DFT	-	-
	25-Jun-2024	/Intermediates/Cd/0001 C2HO_2	Morandi, Santiago	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	DFT	-	-
	26-Aug-2024	geom18_nox2_w8_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-1258.4658018; Eh
	6-Sep-2024	/PBE/AsMo As01Mo09O34-6H	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-14.12106437; Eh
	25-Jun-2024	/Intermediates/Ag/100 C4H11N_6	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-208.52430387; eV
	25-Jun-2024	/Intermediates/Ag/100 C4H11N_5	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-208.77032189; eV

Results 56451-56460 of 104126 (Search time: 0.036 seconds).