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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
20-May-2025	TSre_m062x_toluene	Arranz, Isabel	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM062X	CC-PVTZ GENECP	-1593.7198571; Eh
20-May-2025	TStm_bp86_toluene	Arranz, Isabel	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RBP86	CC-PVTZ GENECP	-1580.1633436; Eh
20-May-2025	TSre_bp86_toluene	Arranz, Isabel	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RBP86	CC-PVTZ GENECP	-1594.3884181; Eh
20-May-2025	TStm_bmk_toluene	Arranz, Isabel	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RBMK	CC-PVTZ GENECP	-1576.4761765; Eh
20-May-2025	TStm_m06_toluene	Arranz, Isabel	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	CC-PVTZ GENECP	-1579.4407986; Eh
20-May-2025	TSre_m06_toluene	Arranz, Isabel	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	CC-PVTZ GENECP	-1593.5152051; Eh
17-Jul-2025	Int2_m06	Li, Yingzi	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06	GENECP	-6131.1233581; Eh
17-Jul-2025	Int1_m06	Li, Yingzi	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06	GENECP	-6131.0990119; Eh
17-Jul-2025	Int3_m06	Li, Yingzi	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06	GENECP	-3656.9111446; Eh
20-May-2025	3_m062x_gas	Arranz, Isabel	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM062X	GENECP	-565.5783137; Eh

Results 12231-12240 of 12842 (Search time: 0.009 seconds).