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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	1-Mar-2023	/Minima_Calculations/W05O16H0_int W05O16H0_int	Petrus, Enric	ADF; 2019	Geometry optimization	PBE	TZP	-6.86659771; Eh
	1-Mar-2023	/Minima_Calculations/W02O7H1_int W02O7H1_int	Petrus, Enric	ADF; 2019	Geometry optimization	PBE	TZP	-3.06055492; Eh
	1-Mar-2023	/Minima_Calculations/W01O4H0_int W01O4H0_int	Petrus, Enric	ADF; 2019	Geometry optimization	PBE	TZP	-1.79932939; Eh
	1-Mar-2023	/Minima_Calculations/W04O13H2_int3 W04O13H2_int3	Petrus, Enric	ADF; 2019	Single point	PBE	TZP	-
	31-Jul-2023	/M_N_SACs/M_tr_C4N0_C5N2/Ni_tr_C4N0_C5N2 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-653.97963682; eV
	31-Jul-2023	/M_N_SACs/M_tr_C4N0_C5N2/Co_tr_C4N0_C5N2 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-655.51840388; eV
	31-Jul-2023	/M_N_SACs/M_tr_C4N1_C5N0/Co_tr_C4N1_C5N0 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-658.75766822; eV
	31-Jul-2023	/M_N_SACs/M_tr_C4N0_C5N2/Pt_tr_C4N0_C5N2 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-653.64816309; eV
	31-Jul-2023	/M_N_SACs/M_tr_C4N0_C5N2/Os_tr_C4N0_C5N2 rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-656.06171550; eV
	7-Mar-2024	SP_C20b	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(D,P)	-963.9351143; Eh

Results 48811-48820 of 104079 (Search time: 0.03 seconds).