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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	31-Jul-2023	/M_N_SACs/M_sq_C4N1_C5N1_d/Ir_sq_C4N1_C5N1_d rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-628.93409606; eV
	31-Jul-2023	/M_N_SACs/M_sq_C4N1_C5N1_d/Ni_sq_C4N1_C5N1_d rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-625.38327564; eV
	31-Jul-2023	/M_N_SACs/M_sq_C4N1_C5N1_d/Os_sq_C4N1_C5N1_d rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-629.98554899; eV
	31-Jul-2023	/M_N_SACs/M_sq_C4N1_C5N1_d/Os_sq_C4N1_C5N1_d rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-629.45671397; eV
	14-Feb-2022	/intermediates-electric-field Cu(111)-6x6-2CuC2O4-2-E-p03	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-614.00379418; eV
	31-Jul-2023	/M_N_SACs/M_sq_C4N1_C5N1_s/Os_sq_C4N1_C5N1_s rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-630.42446990; eV
	31-Jul-2023	/M_N_SACs/M_sq_C4N1_C5N1_s/Pd_sq_C4N1_C5N1_s rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-626.00214446; eV
	7-Mar-2023	/110/surf_vac/pris/adsorbates on_ce-no-fill_vac-diagonal-o-proton_added	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-584.31014072; eV
	7-Mar-2023	/110/surf_vac/pris/adsorbates on_ce-hno-fill_vac-horizontal-2	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-584.11894963; eV
	7-Mar-2023	/110/surf_vac/metal_coord/mos3 adsorbates-on_vac-no-n	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-591.26632519; eV

Results 28651-28660 of 101953 (Search time: 0.018 seconds).