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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
20-May-2025	TSoa_bmk_gas	Arranz, Isabel	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RBMK	GENECP	-3748.7910831; Eh
20-May-2025	TSoa_m06_gas	Arranz, Isabel	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	GENECP	-3750.6219097; Eh
16-Jul-2025	of_1-Cu2Cl4-i_20250715193856	Brandon, Laurence	Orca; 6.0.0; RELEASE	Geometry optimization Minimum	DFT	-	-5744.55321914958131; Eh
16-Jul-2025	of_1-CuCl3_20250713153035	Brandon, Laurence	Orca; 6.0.0; RELEASE	Geometry optimization Minimum	DFT	-	-3643.48910567328267; Eh
16-Jul-2025	of_1-CuCl2_20250713153028	Brandon, Laurence	Orca; 6.0.0; RELEASE	Geometry optimization Minimum	DFT	-	-3183.11682727815150; Eh
16-Jul-2025	of_1-CuCl_20250713153023	Brandon, Laurence	Orca; 6.0.0; RELEASE	Geometry optimization Minimum	DFT	-	-2722.76342314165322; Eh
16-Jul-2025	of_1-Cu_20250713153015	Brandon, Laurence	Orca; 6.0.0; RELEASE	Geometry optimization Minimum	DFT	-	-2262.38997756913204; Eh
16-Jul-2025	of_1-CuCl2_20250715194042	Brandon, Laurence	Orca; 6.0.0; RELEASE	Geometry optimization Minimum	DFT	-	-3183.15009148029912; Eh
16-Jul-2025	of_Cu3Cl6_20250715194106	Brandon, Laurence	Orca; 6.0.0; RELEASE	Geometry optimization Minimum	DFT	-	-7684.22415366596306; Eh
16-Jul-2025	of_Cu4Cl8_20250715194117	Brandon, Laurence	Orca; 6.0.0; RELEASE	Geometry optimization Minimum	DFT	-	-10245.63056865344515; Eh

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