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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	7-Mar-2023	Int-VIIi_Me	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	6-31G(D,P) SDD GEN	-1978.71528158; Eh
	7-Mar-2023	MECPi_S=3_2_Me	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UB3LYP	6-31G(D,P) SDD GEN	-1978.68844239; Eh
	7-Mar-2023	MECPi_S=1_2_Me	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UB3LYP	6-31G(D,P) SDD GEN	-1978.68843658; Eh
	7-Mar-2023	Int-IX_Me	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	6-31G(D,P) SDD GEN	-1978.73489303; Eh
	31-Jul-2023	/M_N_SACs/M_sq_C4N1_C5N1_d/Ru_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	-	-628.42764141; eV
	31-Jul-2023	/M_N_SACs/M_sq_C4N2_C5N0/Ag_sq_C4N2_C5N0 rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-622.13643518; eV
	31-Jul-2023	/M_N_SACs/M_sq_C4N2_C5N0/Au_sq_C4N2_C5N0 rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-623.69448090; eV
	25-Jun-2024	/Intermediates/Ru/0001 CH_3	Morandi, Santiago	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	DFT	-	-330.36244834; eV
	7-Mar-2023	Int-III	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	6-31G(D,P) SDD GEN	-1901.30176536; Eh
	7-Mar-2023	Int-IV	Sciortino, Giuseppe	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	6-31G(D,P) SDD GEN	-1824.81495574; Eh

Results 47041-47050 of 104079 (Search time: 0.028 seconds).