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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	16-Jul-2025	of_I-1a_20250715230621	Brandon, Laurence	Orca; 6.0.0; RELEASE	Geometry optimization Minimum	DFT	-	-5205.99273723869919; Eh
	16-Jul-2025	of_I-1b_20250715230628	Brandon, Laurence	Orca; 6.0.0; RELEASE	Geometry optimization Minimum	DFT	-	-4663.20128387843579; Eh
	20-May-2025	E3_wb97xd_toluene	Arranz, Isabel	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	CC-PVTZ GENECP	-828.621002; Eh
	20-May-2025	E3_m062x_toluene	Arranz, Isabel	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM062X	CC-PVTZ GENECP	-828.3713268; Eh
	20-May-2025	E3_bp86_toluene	Arranz, Isabel	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RBP86	CC-PVTZ GENECP	-828.87176; Eh
	20-May-2025	E3_m06_toluene	Arranz, Isabel	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	CC-PVTZ GENECP	-828.3805831; Eh
	16-Jul-2025	of_I-3a-muNCR-anti_20250715235004	Brandon, Laurence	Orca; 6.0.0; RELEASE	Geometry optimization Minimum	DFT	-	-5827.78190618917870; Eh
	16-Jul-2025	of_I-3a-muNCR-syn_20250715235009	Brandon, Laurence	Orca; 6.0.0; RELEASE	Geometry optimization Minimum	DFT	-	-5827.78321854185469; Eh
	16-Jul-2025	of_I-3a_irc-f_20250715234957	Brandon, Laurence	Orca; 6.0.0; RELEASE	Geometry optimization Minimum	DFT	-	-5827.74717811459686; Eh
	16-Jul-2025	of_I-2a_irc-b_20250715234951	Brandon, Laurence	Orca; 6.0.0; RELEASE	Geometry optimization Minimum	DFT	-	-5827.73005099492457; Eh

Results 601-610 of 12354 (Search time: 0.005 seconds).