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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	18-Jun-2024	/Transition_states/Rh/111 1312-1211	Morandi, Santiago	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	DFT	-	-
	25-Apr-2024	/Ag/cluster_calcs/Li/4_H2O 4_4800	Seemakurthi, Ranga Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-59.85222306; eV
	16-Jul-2024	/M_Fe_N_din6_s_c5/Ru_Fe_N_din6_s_c5 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-615.62039461; eV
	23-Jul-2025	/TiO2(110)/Imines/Methanimine/hollow_M5c-Oip config_1	Van Hout, Thomas	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-1110.33691135; eV
	16-Jul-2024	/M_Fe_N_din6_s_c5/Rh_Fe_N_din6_s_c5 dos	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-614.44604442; eV
	16-Jul-2024	/M_Fe_N_din6_s_c5/Ru_Fe_N_din6_s_c5 dos	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-615.63209880; eV
	16-Jul-2024	/M_Fe_N_din6_s_c5/Ru_Fe_N_din6_s_c5 sc	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-615.62031873; eV
	19-Mar-2026	/V V05O14-1H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-6.05184322; Eh
	19-Mar-2026	/V V05O15-0H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-6.64893755; Eh
	26-Aug-2024	geom10_nox2_w12_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-1564.22318; Eh

Results 76481-76490 of 104126 (Search time: 0.048 seconds).