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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	27-Mar-2023	B-Int6b	Escofet, Imma	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RBP86	6-31G SDD GENECP*	-5296.38442261; Eh
	31-Jul-2023	/M_P_SACs/M_sq_C5P2_d1/Ni_sq_C5P2_d1 rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-639.09524035; eV
	31-Jul-2023	/M_P_SACs/M_sq_C5P2_d1/Au_sq_C5P2_d1 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-636.40976274; eV
	31-Jul-2023	/M_P_SACs/M_sq_C5P2_d1/Cd_sq_C5P2_d1 rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-633.68500136; eV
	31-Jul-2023	/M_P_SACs/M_sq_C5P2_d1/Fe_sq_C5P2_d1 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-642.39235302; eV
	31-Jul-2023	/M_P_SACs/M_sq_C5P2_d1/Co_sq_C5P2_d1 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-640.77360459; eV
	31-Jul-2023	/M_P_SACs/M_sq_C5P2_d1/Ag_sq_C5P2_d1 rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-634.22317019; eV
	27-Mar-2023	A-TSInt5a-6a	Escofet, Imma	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RBP86	6-31G SDD GENECP*	-5296.37431093; Eh
	27-Mar-2023	A-Int7a	Escofet, Imma	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RBP86	6-31G SDD GENECP*	-5760.94918972; Eh
	27-Mar-2023	1a	Escofet, Imma	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RBP86	6-31G GENECP*	-890.034548813; Eh

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