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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	20-Mar-2024	I_W_W	Garay Ruiz, Diego	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RB3LYP	CC-PVTZ	-636.1082566; Eh
	20-Mar-2024	N_N	Garay Ruiz, Diego	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RB3LYP	CC-PVTZ	-427.8090602; Eh
	20-Mar-2024	Imine	Garay Ruiz, Diego	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RB3LYP	CC-PVTZ	-483.1535656; Eh
	31-Jul-2023	/M_N_SACs/M_tr_C5N3/Os_tr_C5N3 rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-658.26081649; eV
	31-Jul-2023	/M_N_SACs/M_tr_C5N3/Ni_tr_C5N3 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-656.35543179; eV
	31-Jul-2023	/M_N_SACs/M_tr_C5N3/Os_tr_C5N3 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-659.07506482; eV
	16-Jul-2024	/M_Fe_N_din6_s_c2_02/Co_Fe_N_din6_s_c2_02 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-614.77498446; eV
	23-Jul-2025	/TiO2(110)/Amidines/Formimidamide/hollow_M5c-Obr config_2	Van Hout, Thomas	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-1122.93476680; eV
	17-Feb-2023	/M_P_din6_as_c2_35/Ru_P_din6_as_c2_35 rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-613.67651232; eV
	26-Aug-2024	geom129_nox2_w7_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-1182.016964; Eh

Results 45081-45090 of 103542 (Search time: 0.031 seconds).