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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	/Ph_Bpin/pNMe2_PhI pNMe2Ph-Ph	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G GEN*	-597.300367982; Eh
	23-Sep-2022	/Ph_Bpin/pNMe2_PhI OATS	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-31G SDD GEN*	-1377.72884715; Eh
	23-Sep-2022	/pF_Bpin/pNMe2_PhI/large_basis_sets Cu_Phen_pFPhpNMe2Ph_I	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1761.8463319; Eh
	23-Sep-2022	/pF_Bpin/pNMe2_PhI/large_basis_sets Cu_Phen_pFPh_pNMe2PhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1761.7465788; Eh
	23-Sep-2022	/pCF3_Bpin/pNO2_PhI Cu_Phen_pCF3PhpNO2Ph_I	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-1785.44627351; Eh
	23-Sep-2022	/pCF3_Bpin/pNO2_PhI Cu_Phen_pCF3Ph_pNO2PhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-1785.33702957; Eh
	23-Sep-2022	/Ph_Bpin/PhI/large_basis_sets Cu_Phen_Ph_PhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1528.4542007; Eh
	23-Sep-2022	/pCF3_Bpin/PhI Cu_Phen_pCF3Ph	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-1337.73645139; Eh
	23-Sep-2022	/Ph_Bpin/PhI/large_basis_sets OATS_PhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1528.4207522; Eh
	23-Sep-2022	/Ph_Bpin/PhI/large_basis_sets Ph-Ph	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-463.4506844; Eh

Results 24701-24710 of 100175 (Search time: 0.015 seconds).