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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	16-Jul-2024	/M_Fe_N_din4_x2/M_Fe_N_din4_x2_c4_b/Ag_Fe_N_din4_x2_c4_b sc	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-630.05579027; eV
	30-Aug-2025	TS(II-S5)-NHC	Rodríguez Sugranyes, Arnau	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	LANL2DZ 6-31G(D,P) GENECP	-2431.62080821; Eh
	20-Jun-2025	/Mn_proj/Rec_MnOBr/adIBr/verBr verBr	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-16096.87283365; eV
	20-Jun-2025	/Mn_proj/Rec_MnOBr/v_Br/vBr/vBr2 vBr2	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-1085.36710811; eV
	20-Jun-2025	/Mn_proj/Rec_MnOBr/adIBr/verI verI	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-16096.73119478; eV
	20-Jun-2025	/Mn_proj/Rec_MnOBr/IO4/ad/hollow hollow	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-15799.96928532; eV
	20-Jun-2025	/Mn_proj/Rec_MnOBr/IO4/ad/vcc1 vcc1	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-15800.12583709; eV
	20-Jun-2025	/Mn_proj/Rec_MnOBr/IO4/ad/ver ver	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-15799.66745953; eV
	20-Jun-2025	/Mn_proj/Rec_MnOBr/v_Br/vBr vBr	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-1084.88323619; eV
	20-Jun-2025	/Mn_proj/Rec_MnOBr/adIBr/flt flt	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-16096.59619249; eV

Results 82401-82410 of 104124 (Search time: 0.058 seconds).