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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	16-Mar-2021	3intI_T_SVP	Schön, Florian	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UTPSSh	DEF2SVP	-
	16-Mar-2021	3intII_T_SVP	Schön, Florian	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UTPSSh	DEF2SVP	-
	24-Jun-2019	Mo-1a	Artus Suarez, Lluis	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UM06	6-31+G* GENECP*	-2123.28815542; Eh
	27-Aug-2019	Mo-ts-13-5	Artus Suarez, Lluis	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization TS	RM06	6-31+G* GENECP*	-1941.61020650; Eh
	27-Aug-2019	Mo-14	Artus Suarez, Lluis	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31+G* GENECP*	-2381.62157317; Eh
	27-Aug-2019	Mo-ts-12-13-K	Artus Suarez, Lluis	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31+G* GENECP*	-2379.21831410; Eh
	27-Aug-2019	Mo-12-alt2	Artus Suarez, Lluis	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31+G* GENECP*	-2225.50729563; Eh
	27-Aug-2019	Mo-11	Artus Suarez, Lluis	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31+G* GENECP*	-2381.62106693; Eh
	27-Aug-2019	Mo-ts-9a-12	Artus Suarez, Lluis	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization TS	RM06	6-31+G* GENECP*	-1940.43939441; Eh
	27-Aug-2019	Mo-10	Artus Suarez, Lluis	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31+G* GENECP*	-2381.62971876; Eh

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