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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	29-Jan-2024	Zr_Int4	Garay Ruiz, Diego	ADF;	Single point	PBE	TZ2P	-
	21-Jun-2023	TS1b-2b	Cataffo, Andrea	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G SDD GENECP*	-2351.00465650; Eh
	16-Jul-2024	/M_Fe_N_din6_s_c2_12/Zn_Fe_N_din6_s_c2_12 sc	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-610.37115760; eV
	16-Feb-2023	/M_S_din6_as_c2_35/Fe_S_din6_as_c2_35 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-606.42554447; eV
	3-Feb-2023	/Cu-Pb_surfaces Ag100	Ibáñez-Alé, Enric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-285.70872320; eV
	29-Sep-2025	/References/PBE_D3 cl2	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-3.57487322; eV
	29-Nov-2021	/Profiles/Pt-In2O3 Pt-In₂O₃-i16	Morales-Vidal, Jordi	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-1125.31369669; eV
	29-Nov-2021	/Profiles/Pt-In2O3 Pt-In₂O₃-i17	Morales-Vidal, Jordi	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-1124.59152281; eV
	29-Nov-2021	/Oxygen-vacancy/In3MO4 Au-O-2v	Morales-Vidal, Jordi	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-1083.22508056; eV
	29-Nov-2021	/Oxygen-vacancy/In3MO4 Co-O-2v	Morales-Vidal, Jordi	vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex	Geometry optimization	DFT	-	-1084.41326581; eV

Results 28331-28340 of 103542 (Search time: 0.016 seconds).