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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	4-Jan-2023	/C6F5_Bpin/PhI/large_basis_sets OATS_trans	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G* GEN*	-2024.7626664; Eh
	4-Jan-2023	/C6F5_Bpin/PhI/large_basis_sets RETS	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-2024.7861006; Eh
	4-Jan-2023	/R_PhI PhI_anion	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	6-31G SDD GEN*	-243.176622211; Eh
	26-Dec-2022	/Redox HFIP+_s2	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31G(D) GENECP	-789.471822916; Eh
	26-Dec-2022	/Redox HFIP2_	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D) GENECP	-1579.11764305; Eh
	26-Dec-2022	/Redox A_s2	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31G(D) GENECP	-648.889343704; Eh
	26-Dec-2022	/Redox DIPEA+_s2	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31G(D) GENECP	-370.883098792; Eh
	26-Dec-2022	/Redox HFIP_s2	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31G(D) GENECP	-789.112187462; Eh
	26-Dec-2022	/Redox HFIP	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D) GENECP	-789.793320720; Eh
	26-Dec-2022	/Redox OTf_s2	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31G(D) GENECP	-961.329439735; Eh

Results 29831-29840 of 103542 (Search time: 0.018 seconds).