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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	/pF_Bpin/PhI TMTS	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-31G SDD GEN*	-1453.84332443; Eh
	23-Sep-2022	/pF_Bpin/PhI/large_basis_sets Cu_Phen_F_pFPhBpin	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1454.2317266; Eh
	23-Sep-2022	/pF_Bpin/pNMe2_PhI Cu_Phen_pFPh_pNMe2PhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-1477.00460486; Eh
	23-Sep-2022	/pF_Bpin/pNMe2_PhI Cu_Phen_pFPhpNMe2Ph_I	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-1477.11140253; Eh
	23-Sep-2022	/pF_Bpin/pNMe2_PhI/large_basis_sets pFPh-pNMe2Ph	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-696.7355044; Eh
	23-Sep-2022	/Ph_Bpin/PhI/large_basis_sets TMTS_PhBpin	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1354.9374202; Eh
	23-Sep-2022	/pF_Bpin/pNMe2_PhI/large_basis_sets OATS	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1761.7069007; Eh
	23-Sep-2022	/pCF3_Bpin/pNO2_PhI pCF3Ph-pNO2Ph	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G GEN*	-1004.86732812; Eh
	23-Sep-2022	/mmMePh_Bpin Cu_Phen_mmMePh_PhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-1322.42778777; Eh
	23-Sep-2022	/pCF3_Bpin/pNO2_PhI OATS	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-31G SDD GEN*	-1785.30385444; Eh

Results 24711-24720 of 100175 (Search time: 0.016 seconds).