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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	23-Sep-2022	/C6F5_Bpin/pMe_PhI Cu_Phen_C6F5_pMePhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-1779.24845332; Eh
	23-Sep-2022	/C6F5_Bpin/pF_PhI Cu_Phen_C6F5_pFPhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-1839.17927407; Eh
	23-Sep-2022	/C6F5_Bpin/pMe_PhI Cu_Phen_pMePhC6F5_I	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-1779.35094147; Eh
	23-Sep-2022	/C6F5_Bpin/pF_PhI Cu_Phen_pFPhC6F5_I	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-1839.26278292; Eh
	23-Sep-2022	/C6F5_Bpin/pMe_PhI/large_basis_sets pMePh-C6F5	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-999.0855632; Eh
	23-Sep-2022	/C6F5_Bpin/pMe_PhI OATS	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-31G SDD GEN*	-1779.23116906; Eh
	23-Sep-2022	/C6F5_Bpin/pF_PhI OATS	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-31G SDD GEN*	-1839.14188957; Eh
	23-Sep-2022	/R_PhI pNO2-PhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-447.575826123; Eh
	23-Sep-2022	/C6F5_Bpin/pNMe2_PhI/large_basis_sets Cu_phen_C6F5_pNMe2PhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-2158.8126462; Eh
	23-Sep-2022	/C6F5_Bpin/pNMe2_PhI/large_basis_sets Cu_Phen_pNMe2PhC6F5_I	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-2158.8825299; Eh

Results 24811-24820 of 100175 (Search time: 0.015 seconds).