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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	26-Dec-2022	/dispersion_interaction/pro-R Base_opt_SP	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	CC-PVTZ AUG-CC-PVTZ GENECP	-371.1985184; Eh
	26-Dec-2022	/NLE H2O	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D) GENECP	-76.4135204481; Eh
	6-Sep-2024	/BP86/Nb Nb07O22-0H	Buils, Jordi	ADF; 2019	Single point	BP86	TZP	-
	4-Jan-2023	/C6F5_Bpin/PhI Cu_C6F5_cation	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	6-31G SDD GEN*	-1496.69459662; Eh
	26-Dec-2022	/dispersion_interaction/pro-S Complex_opt_SP	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	CC-PVTZ AUG-CC-PVTZ GENECP	-2512.1945566; Eh
	26-Dec-2022	/NLE HFIP2_	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D) GENECP	-1579.11764305; Eh
	26-Dec-2022	/NLE OTf_	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D) GENECP	-961.564276092; Eh
	26-Dec-2022	/dispersion_interaction/pro-R Complex_opt_SP	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	CC-PVTZ AUG-CC-PVTZ GENECP	-2512.197126; Eh
	26-Dec-2022	/dispersion_interaction/pro-R TS_SP	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	CC-PVTZ AUG-CC-PVTZ GENECP	-2883.409343; Eh
	4-Jan-2023	/C6F5_Bpin/PhI Cu_Phen_C6F5_Ph_I	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-1739.93500171; Eh

Results 25171-25180 of 100136 (Search time: 0.016 seconds).