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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
2-May-2019	acid_m06sp	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Single point Structure	RM06	-	-420.5522016; Eh
1-Sep-2023	C-1a	Xie, Jiale	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	DEF2TZVP	-1455.8924423; Eh
1-Sep-2023	D-1a	Xie, Jiale	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	DEF2TZVP	-1455.9065347; Eh
1-Sep-2023	HFIPanion1	Xie, Jiale	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	DEF2TZVP	-789.3500988; Eh
1-Sep-2023	HFIPanion	Xie, Jiale	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	DEF2TZVP	-789.3752272; Eh
1-Sep-2023	HCF3	Xie, Jiale	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	DEF2TZVP	-338.2722346; Eh
8-Jan-2020	TSInt5a_Int7a	Escofet, Imma	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31G SDD GENECP*	-1257.34398625; Eh
8-Jan-2020	TSInt6b_int7b	Escofet, Imma	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31G SDD GENECP*	-1257.32802350; Eh
8-Jan-2020	TSInt2a_Int4a	Escofet, Imma	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31G SDD GENECP*	-1754.51479281; Eh
8-Jan-2020	TS2a_Int6b	Escofet, Imma	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31G SDD GENECP*	-1257.29292376; Eh

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