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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	16-Feb-2023	/M_S_din4_x2_c2_e_v2/Zn_S_din4_x2_c2_e_v2 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-592.83482016; eV
	16-Feb-2023	/M_S_din4_x2_c2_f/Co_S_din4_x2_c2_f rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-605.29967701; eV
	16-Feb-2023	/M_S_din4_x2_c2_g/Pt_S_din4_x2_c2_g rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-593.81731831; eV
	16-Feb-2023	/M_S_din4_x2_c2_f/Ni_S_din4_x2_c2_f rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-603.94386683; eV
	16-Feb-2023	/M_S_din4_x2_c2_g/Ag_S_din4_x2_c2_g rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-594.36940366; eV
	19-Mar-2026	/Sand Si02W18O62-0H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-26.89794013; Eh
	19-Mar-2026	/AsW As01W00O04-0H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-1.50251308; Eh
	25-Jun-2024	/Intermediates/Pt/110 C4H9NO2_5	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-506.37705721; eV
	18-Jun-2024	/Transition_states/Os/0001 2522-2425	Morandi, Santiago	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	DFT	-	-
	7-Mar-2024	TSA13	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31G LANL2DZ GENECP*	-1033.10168535; Eh

Results 38081-38090 of 103529 (Search time: 0.02 seconds).