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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	1-Mar-2023	/Minima_Calculations/W07O24H1_int W07O24H1_int	Petrus, Enric	ADF; 2019	Geometry optimization	PBE	TZP	-10.53967108; Eh
	1-Mar-2023	/Minima_Calculations/W07O23H0_int W07O23H0_int	Petrus, Enric	ADF; 2019	Geometry optimization	PBE	TZP	-9.98716624; Eh
	31-Jul-2023	/M_N_SACs/M_tr_C4X0_C5X0/Ru_tr_C4X0_C5X0 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-661.02292505; eV
	31-Jul-2023	/M_N_SACs/M_tr_C4X0_C5X0/Ru_tr_C4X0_C5X0 rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-659.85638327; eV
	25-Jun-2024	/Intermediates/Rh/111 C2H3_3	Morandi, Santiago	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	DFT	-	-
	25-Jun-2024	/Intermediates/Ru/0001 H2O_2	Morandi, Santiago	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	DFT	-	-
	25-Jun-2024	/Intermediates/Ni/111 CH3_3	Morandi, Santiago	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	DFT	-	-
	31-Jul-2023	/M_N_SACs/M_tr_C4X0_C5X0/Au_tr_C4X0_C5X0 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-652.09738961; eV
	31-Jul-2023	/M_N_SACs/M_tr_C4X0_C5X0/Ag_tr_C4X0_C5X0 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-651.66645829; eV
	31-Jul-2023	/M_N_SACs/M_tr_C4N0_C5N1/Rh_tr_C4N0_C5N1 rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-657.55859632; eV

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