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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/pNO2_PhI pFPh_pNO2Ph	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-31G GEN*	-767.061838813; Eh
	23-Sep-2022	/pF_Bpin/PhI OATS	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-31G SDD GEN*	-1342.98640458; Eh
	23-Sep-2022	/pF_Bpin/PhI pFPh-Ph	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G GEN*	-562.556183950; Eh
	4-Sep-2023	H3	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RBP86	6-31G SDD GENECP*	-1139.96824147; Eh
	23-Sep-2022	/pCF3_Bpin/pNO2_PhI/large_basis_sets pCF3Ph-pNO2Ph	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1005.1773883; Eh
	23-Sep-2022	/pCF3_Bpin/pNO2_PhI/large_basis_sets OATS	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-2070.1599064; Eh
	23-Sep-2022	/Ph_Bpin/pNMe2_PhI Cu_Phen_pNMe2PhPh_I	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-1377.87873004; Eh
	23-Sep-2022	/Ph_Bpin/PhI/large_basis_sets Cu_phen_PhPh_I	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1528.5561707; Eh
	23-Sep-2022	/Ph_Bpin/PhI/large_basis_sets Cu_phen_Ph	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1000.9128682; Eh
	23-Sep-2022	/mmMePh_Bpin Cu_Phen_mmMePh	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-1079.33424572; Eh

Results 24691-24700 of 100175 (Search time: 0.015 seconds).