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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	25-Jun-2024	/Intermediates/Cu/100 C4H10N2_17	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-258.55256346; eV
	25-Jun-2024	/Intermediates/Ir/100 C8H7N	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-506.08566442; eV
	6-Sep-2024	/PBE/AsMo H2O	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-0.52905268; Eh
	25-Jun-2024	/Intermediates/Cd/10m10 CH2	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-
	18-Jun-2024	/Transition_states/Zn/0001 2212-2202+0011	Morandi, Santiago	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	DFT	-	-
	26-Aug-2024	geom119_nox2_w7_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-1182.0216322; Eh
	6-Sep-2024	/PBE/AsMo As02Mo06O26-1H	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-10.45603229; Eh
	25-Jun-2024	/Intermediates/Cu/100 C4H10N2_16	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-258.28869832; eV
	25-Jun-2024	/Intermediates/Cu/100 C4H10N2_20	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-257.90638702; eV
	25-Jun-2024	/Intermediates/Ag/100 C4H10S_2	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-200.86022991; eV

Results 56241-56250 of 104126 (Search time: 0.034 seconds).