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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-Nov-2025	S2	Rodríguez Sugranyes, Arnau	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	DEF2TZVPP DEF2SVP GENECP	-1743.98535768; Eh
	2-Jul-2025	/Bulk_structure/pourbaix_diagram/CuO/phonopy/disp_004 disp_004	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-527.56591210; eV
	2-Jul-2025	/Bulk_structure/pourbaix_diagram/CuO/phonopy/disp_005 disp_005	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-527.56611621; eV
	28-Nov-2025	S7a	Rodríguez Sugranyes, Arnau	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	DEF2TZVPP DEF2SVP GENECP	-4204.97974508; Eh
	28-Nov-2025	S8a	Rodríguez Sugranyes, Arnau	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	DEF2TZVPP DEF2SVP GENECP	-4204.98096072; Eh
	28-Nov-2025	S6'b	Rodríguez Sugranyes, Arnau	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	DEF2TZVPP DEF2SVP GENECP	-4126.39854503; Eh
	28-Nov-2025	S6b	Rodríguez Sugranyes, Arnau	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	DEF2TZVPP DEF2SVP GENECP	-4126.40067464; Eh
	28-Nov-2025	S7b	Rodríguez Sugranyes, Arnau	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	DEF2TZVPP DEF2SVP GENECP	-4126.43688408; Eh
	28-Nov-2025	S8b	Rodríguez Sugranyes, Arnau	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	DEF2TZVPP DEF2SVP GENECP	-4126.43655560; Eh
	2-Jul-2025	/Bulk_structure/pourbaix_diagram/CuOH_2_2/phonopy/disp_013 disp_013	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-121.36257399; eV

Results 91701-91710 of 103928 (Search time: 0.044 seconds).